Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester
TL;DR: Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester (CAS 68797-74-0) is a chemical compound with molecular formula C16H30O2 and molecular weight 254.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylcyclohexyl) hexanoate
Also Known As: p-t-Butylcyclohexyl caproate, 4-tert-Butylcyclohexyl hexanoate, 4-(Isobutyl)cyclohexyl hexanoate, (4-tert-butylcyclohexyl) hexanoate, Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester
| Molecular Formula | C16H30O2 |
|---|---|
| Molecular Weight | 254.22 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 254.22458 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 68797-74-0 |
|---|---|
| SMILES | CCCCCC(=O)OC1CCC(CC1)C(C)(C)C |
| InChIKey | BSARXNDZALPCHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester (CAS 68797-74-0), with molecular formula C16H30O2 and molecular weight 254.22 g/mol. IUPAC: (4-tert-butylcyclohexyl) hexanoate.
Chemical Property Profile of Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester
Property Insights of Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester
The XLogP value of 5.3 indicates that Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl 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, Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl 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 Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester?
The CAS number of Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester is 68797-74-0.
What is the molecular formula of Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester?
The molecular formula of Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester is C16H30O2.
What is the molecular weight of Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester?
The molecular weight of Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester is 254.22 g/mol.
Where can I buy Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester?
You can request a quote for Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.