3,3,5-Trimethylcyclohexyl acetate
TL;DR: 3,3,5-Trimethylcyclohexyl acetate (CAS 67859-96-5) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) acetate
Also Known As: Homomenthyl acetate, 3,3,5-Trimethylcyclohexyl acetate, Tetraphenylhydrazine, 3,3,5-Trimethylcyclohexanol acetate, HOMOMENTHOL ACETATE
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| Density | 0.913-0.924 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.437-1.445 |
Chemical Identifiers
| CAS Number | 67859-96-5 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)C |
| InChIKey | OIVWFAFCHQDCCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5-Trimethylcyclohexyl acetate (CAS 67859-96-5), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) acetate.
Chemical Property Profile of 3,3,5-Trimethylcyclohexyl acetate
Property Insights of 3,3,5-Trimethylcyclohexyl acetate
The XLogP value of 3.2 indicates that 3,3,5-Trimethylcyclohexyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3,5-Trimethylcyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,5-Trimethylcyclohexyl acetate?
The CAS number of 3,3,5-Trimethylcyclohexyl acetate is 67859-96-5.
What is the molecular formula of 3,3,5-Trimethylcyclohexyl acetate?
The molecular formula of 3,3,5-Trimethylcyclohexyl acetate is C11H20O2.
What is the molecular weight of 3,3,5-Trimethylcyclohexyl acetate?
The molecular weight of 3,3,5-Trimethylcyclohexyl acetate is 184.15 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexyl acetate?
You can request a quote for 3,3,5-Trimethylcyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethylcyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.