Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester
TL;DR: Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester (CAS 68784-91-8) is a chemical compound with molecular formula C30H60O2 and molecular weight 452.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,8-trimethylnonan-4-yl octadecanoate
Also Known As: 2,6,8-Trimethyl-4-nonyl stearate, 3,5-dimethyl-1- hexylstearate, 2,6,8-trimethylnonan-4-yl stearate, 2,6,8-trimethylnonan-4-yl octadecanoate, 3,5-Dimethyl-1-(2-methylpropyl)hexyl stearate
| Molecular Formula | C30H60O2 |
|---|---|
| Molecular Weight | 452.46 g/mol |
| LogP | 13.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 24 |
| Exact Mass | 452.45932 |
| Heavy Atoms | 32 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 68784-91-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C |
| InChIKey | QCFGBQPPERBYMA-UHFFFAOYSA-N |
Product Overview
Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester (CAS 68784-91-8), with molecular formula C30H60O2 and molecular weight 452.46 g/mol. IUPAC: 2,6,8-trimethylnonan-4-yl octadecanoate.
Chemical Property Profile of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester
Property Insights of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester
The XLogP value of 13.3 indicates that Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
The CAS number of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is 68784-91-8.
What is the molecular formula of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
The molecular formula of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is C30H60O2.
What is the molecular weight of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
The molecular weight of Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester is 452.46 g/mol.
Where can I buy Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
You can request a quote for Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 3,5-dimethyl-1-(2-methylpropyl)hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.