6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate
TL;DR: 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate (CAS 119-05-1) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.30832 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylate
Also Known As: 6-Methylheptyl 8-methylnonyl phthalate, 6-methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate, 4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylate, o4-(6-methylheptyl) o1-(8-methylnonyl) benzene-1,4-dicarboxylate, 1,2-Benzenedicarboxylicacid, 1-(6-methylheptyl) 2-(8-methylnonyl) ester
Technical Specifications
| Molecular Formula | C26H42O4 |
| Molecular Weight | 418.30832 g/mol |
| XLogP | 10.4 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 418.30832 Da |
| Heavy Atoms | 30 |
| Complexity | 450.0 |
| SMILES | CC(C)CCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCCC(C)C |
| InChIKey | LWMZLERUOSRYNT-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate
Property Insights of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate
The XLogP value of 10.4 indicates that 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
The CAS number of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is 119-05-1.
What is the molecular formula of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
The molecular formula of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is C26H42O4.
What is the molecular weight of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
The molecular weight of 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate is 418.30832 g/mol.
Where can I buy 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
You can request a quote for 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 6-Methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.