2,6,6-Trimethylcyclohexene-1-methanol
TL;DR: 2,6,6-Trimethylcyclohexene-1-methanol (CAS 472-20-8) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6,6-trimethylcyclohexen-1-yl)methanol
Also Known As: B-Cyclogeraniol, A-Cyclogeraniol, BETA-CYCLOGERANIOL, Cyclogeraniol, beta-Cyclocitral
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 472-20-8 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CO |
| InChIKey | QWNGCDQJLXENDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6,6-Trimethylcyclohexene-1-methanol (CAS 472-20-8), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: (2,6,6-trimethylcyclohexen-1-yl)methanol.
Chemical Property Profile of 2,6,6-Trimethylcyclohexene-1-methanol
Property Insights of 2,6,6-Trimethylcyclohexene-1-methanol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,6-Trimethylcyclohexene-1-methanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2,6,6-Trimethylcyclohexene-1-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,6-Trimethylcyclohexene-1-methanol 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 2,6,6-Trimethylcyclohexene-1-methanol?
The CAS number of 2,6,6-Trimethylcyclohexene-1-methanol is 472-20-8.
What is the molecular formula of 2,6,6-Trimethylcyclohexene-1-methanol?
The molecular formula of 2,6,6-Trimethylcyclohexene-1-methanol is C10H18O.
What is the molecular weight of 2,6,6-Trimethylcyclohexene-1-methanol?
The molecular weight of 2,6,6-Trimethylcyclohexene-1-methanol is 154.14 g/mol.
Where can I buy 2,6,6-Trimethylcyclohexene-1-methanol?
You can request a quote for 2,6,6-Trimethylcyclohexene-1-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,6-Trimethylcyclohexene-1-methanol?
Yes, KEHONG BIO provides custom synthesis services for 2,6,6-Trimethylcyclohexene-1-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.