2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid
TL;DR: 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid (CAS 68876-95-9) is a chemical compound with molecular formula C18H40O12S and molecular weight 480.22406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid
Also Known As: 2-ethylhexane-1,1-diol; propane-1,2-diol; propan-2-ol; 2-sulfobutanedioic acid, Butanedioic acid, 2-sulfo-, mixed esters with 2-ethyl-1-hexanol, iso-Pr alc. and propylene glycol, Butanedioic acid, sulfo-, mixed esters with 2-ethyl-1-hexanol, iso-Pr alc. and propylene glycol
Technical Specifications
| Molecular Formula | C18H40O12S |
| Molecular Weight | 480.22406 g/mol |
| XLogP | 0.06 |
| Topological Polar Surface Area (TPSA) | 239.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.22406 Da |
| Heavy Atoms | 31 |
| Complexity | 386.0 |
| SMILES | CCCCC(CC)C(O)O.CC(C)O.CC(CO)O.C(C(C(=O)O)S(=O)(=O)O)C(=O)O |
| InChIKey | CISRLJJCFZVQLQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid
Property Insights of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid
The XLogP value of 0.06 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid. The TPSA of 239.0 Ų indicates high polarity, suggesting 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid?
The CAS number of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid is 68876-95-9.
What is the molecular formula of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid?
The molecular formula of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid is C18H40O12S.
What is the molecular weight of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid?
The molecular weight of 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid is 480.22406 g/mol.
Where can I buy 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid?
You can request a quote for 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhexane-1,1-diol;propane-1,2-diol;propan-2-ol;2-sulfobutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.