Octen-1-ol acetate
TL;DR: Octen-1-ol acetate (CAS 2761-31-1) 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.
oct-1-enyl acetate
Also Known As: Octen-1-ol acetate, oct-1-enyl acetate, 1-OCTENYLACETATE
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 2761-31-1 |
|---|---|
| SMILES | CCCCCCC=COC(=O)C |
| InChIKey | BQZSFXARLMHSGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octen-1-ol acetate (CAS 2761-31-1), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: oct-1-enyl acetate.
Chemical Property Profile of Octen-1-ol acetate
Property Insights of Octen-1-ol acetate
The XLogP value of 3.4 indicates that Octen-1-ol 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, Octen-1-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octen-1-ol 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 Octen-1-ol acetate?
The CAS number of Octen-1-ol acetate is 2761-31-1.
What is the molecular formula of Octen-1-ol acetate?
The molecular formula of Octen-1-ol acetate is C10H18O2.
What is the molecular weight of Octen-1-ol acetate?
The molecular weight of Octen-1-ol acetate is 170.13 g/mol.
Where can I buy Octen-1-ol acetate?
You can request a quote for Octen-1-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octen-1-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for Octen-1-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.