diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
TL;DR: diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS 102763-23-5) is a chemical compound with molecular formula C41H70N4O13 and molecular weight 826.49396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Propanedioic acid, diethyl ester, reaction products with 1,6-diisocyanatohexane homopolymer, ethyl acetoacetate, 2-ethyl-1,3-hexanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane homopolymer, diethyl propanedioate; 1,6-diisocyanatohexane; 2-ethylhexane-1,3-diol; ethyl 3-oxobutanoate; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Propanedioic acid, 1,3-diethyl ester, reaction products with 1,6-diisocyanatohexane homopolymer, ethyl acetoacetate, 2-ethyl-1,3-hexanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane homopolymer, Propanedioic acid, diethyl ester, reaction products with 1,6-diisocyanatohexane homopolymer, ethyl acetoacetate, 2-ethyl-1,3-hexanediol and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane homopolymer
Technical Specifications
| Molecular Formula | C41H70N4O13 |
| Molecular Weight | 826.49396 g/mol |
| XLogP | 5.6586 |
| Topological Polar Surface Area (TPSA) | 254.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 25 |
| Exact Mass | 826.49396 Da |
| Heavy Atoms | 58 |
| Complexity | 838.0 |
| SMILES | CCCC(C(CC)CO)O.CCOC(=O)CC(=O)C.CCOC(=O)CC(=O)OCC.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCCN=C=O)CCN=C=O |
| InChIKey | VARYQGVLOKDHKQ-UHFFFAOYSA-N |
Product Description
Applications: VARYQGVLOKDHKQ-UHFFFAOYSA-N is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
VARYQGVLOKDHKQ-UHFFFAOYSA-N (CAS 102763-23-5) is a fine chemical with the molecular formula C41H70N4O13 and a molecular weight of 826.49 g/mol. Synonyms include diethyl propanedioate and 1,6-diisocyanatohexane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Property Insights of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
The XLogP value of 5.6586 indicates that diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 254.0 Ų indicates high polarity, suggesting diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The CAS number of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is 102763-23-5.
What is the molecular formula of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The molecular formula of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is C41H70N4O13.
What is the molecular weight of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The molecular weight of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is 826.49396 g/mol.
What are the applications of diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
VARYQGVLOKDHKQ-UHFFFAOYSA-N is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS,...
Where can I buy diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
You can request a quote for diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
Yes, CoreyChem provides custom synthesis services for diethyl propanedioate;1,6-diisocyanatohexane;2-ethylhexane-1,3-diol;ethyl 3-oxobutanoate;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.