Cyclohexylmethylcarbinyl acetate
TL;DR: Cyclohexylmethylcarbinyl acetate (CAS 13487-27-9) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexylethyl acetate
Also Known As: 1-cyclohexylethyl acetate, Cyclohexylethyl acetate, Cyclohexylmethylcarbinyl acetate, alpha-Methylcyclohexylmethyl acetate, 1-cyclohexylethan-1-yl acetate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 13487-27-9 |
|---|---|
| SMILES | CC(C1CCCCC1)OC(=O)C |
| InChIKey | JAVZALBKNIHSLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexylmethylcarbinyl acetate (CAS 13487-27-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 1-cyclohexylethyl acetate.
Chemical Property Profile of Cyclohexylmethylcarbinyl acetate
Property Insights of Cyclohexylmethylcarbinyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexylmethylcarbinyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexylmethylcarbinyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexylmethylcarbinyl 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 Cyclohexylmethylcarbinyl acetate?
The CAS number of Cyclohexylmethylcarbinyl acetate is 13487-27-9.
What is the molecular formula of Cyclohexylmethylcarbinyl acetate?
The molecular formula of Cyclohexylmethylcarbinyl acetate is C10H18O2.
What is the molecular weight of Cyclohexylmethylcarbinyl acetate?
The molecular weight of Cyclohexylmethylcarbinyl acetate is 170.13 g/mol.
Where can I buy Cyclohexylmethylcarbinyl acetate?
You can request a quote for Cyclohexylmethylcarbinyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexylmethylcarbinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexylmethylcarbinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.