3-Octen-1-ol-acetate
TL;DR: 3-Octen-1-ol-acetate (CAS 69668-83-3) 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-3-enyl acetate
Also Known As: 3-octen-1-ol-acetate, (Z)-3-Octen-1-ol acetate, acetic acid,oct-3-en-1-ol, OCT-3-EN-1-YL ACETATE
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.0 |
| 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 | 69668-83-3 |
|---|---|
| SMILES | CCCCC=CCCOC(=O)C |
| InChIKey | PHXNWSHRRVPWLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Octen-1-ol-acetate (CAS 69668-83-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: oct-3-enyl acetate.
Chemical Property Profile of 3-Octen-1-ol-acetate
Property Insights of 3-Octen-1-ol-acetate
The XLogP value of 3.0 indicates that 3-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, 3-Octen-1-ol-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Octen-1-ol-acetate?
The CAS number of 3-Octen-1-ol-acetate is 69668-83-3.
What is the molecular formula of 3-Octen-1-ol-acetate?
The molecular formula of 3-Octen-1-ol-acetate is C10H18O2.
What is the molecular weight of 3-Octen-1-ol-acetate?
The molecular weight of 3-Octen-1-ol-acetate is 170.13 g/mol.
Where can I buy 3-Octen-1-ol-acetate?
You can request a quote for 3-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 3-Octen-1-ol-acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Octen-1-ol-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.