3,3,5-三甲基环己醇
TL;DR: 3,3,5-三甲基环己醇 (CAS 116-02-9) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-三甲基环己醇
3,3,5-trimethylcyclohexan-1-ol
Also Known As: 3,3,5-TRIMETHYLCYCLOHEXANOL, Homomenthol, Cyclonol, dihydroisophorol, 3,3,5-trimethylcyclohexan-1-ol
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
| Melting Point | 37.0 °C |
| Boiling Point | 198 °C |
| Density | 0.878 @ 40 °C/20 °C |
| Solubility | SLIGHTLY SOL IN WATER |
| Flash Point | 73.9 °C |
| Vapor Pressure | 0.1 [mmHg] |
Chemical Identifiers
| CAS Number | 116-02-9 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)O |
| InChIKey | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5-三甲基环己醇 (CAS 116-02-9), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 3,3,5-trimethylcyclohexan-1-ol.
Chemical Property Profile of 3,3,5-三甲基环己醇
Property Insights of 3,3,5-三甲基环己醇
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3,5-三甲基环己醇. With a topological polar surface area (TPSA) of 20.2 Ų, 3,3,5-三甲基环己醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-三甲基环己醇 has 1 hydrogen bond donor(s) and 1 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 3,3,5-三甲基环己醇?
The CAS number of 3,3,5-三甲基环己醇 is 116-02-9.
What is the molecular formula of 3,3,5-三甲基环己醇?
The molecular formula of 3,3,5-三甲基环己醇 is C9H18O.
What is the molecular weight of 3,3,5-三甲基环己醇?
The molecular weight of 3,3,5-三甲基环己醇 is 142.14 g/mol.
Where can I buy 3,3,5-三甲基环己醇?
You can request a quote for 3,3,5-三甲基环己醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-三甲基环己醇?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-三甲基环己醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.