Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate
TL;DR: Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate (CAS 25225-10-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dimethylcyclohexyl)ethyl acetate
Also Known As: Rosamusk, musk acetate, 1-(3,3-dimethylcyclohexyl)ethyl acetate, d-Cyclocitronellene acetate, alpha,3,3-Trimethylcyclohexylmethyl acetate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 25225-10-9 |
|---|---|
| SMILES | CC(C1CCCC(C1)(C)C)OC(=O)C |
| InChIKey | YWVSYRJWCROMKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate (CAS 25225-10-9), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 1-(3,3-dimethylcyclohexyl)ethyl acetate.
Chemical Property Profile of Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate
Property Insights of Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate
The XLogP value of 3.6 indicates that Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-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, Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-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 Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate?
The CAS number of Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate is 25225-10-9.
What is the molecular formula of Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate?
The molecular formula of Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate is C12H22O2.
What is the molecular weight of Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate?
The molecular weight of Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate is 198.16 g/mol.
Where can I buy Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate?
You can request a quote for Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanemethanol, alpha,3,3-trimethyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.