3-Octen-2-ol
TL;DR: 3-Octen-2-ol (CAS 76649-14-4) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-3-en-2-ol
Also Known As: 3-OCTEN-2-OL, oct-3-en-2-ol, trans-3-Octen-2-ol, (E)-oct-3-en-2-ol, 3-Octen-2-ol, (Z)-
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 76.0 |
| Density | 0.826-0.836 |
| Solubility | insoluble in water and fats |
| Refractive Index | 1.422-1.428 |
Chemical Identifiers
| CAS Number | 76649-14-4 |
|---|---|
| SMILES | CCCCC=CC(C)O |
| InChIKey | YJJIVDCKSZMHGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Octen-2-ol (CAS 76649-14-4), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: oct-3-en-2-ol.
Chemical Property Profile of 3-Octen-2-ol
Property Insights of 3-Octen-2-ol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Octen-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Octen-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octen-2-ol 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 3-Octen-2-ol?
The CAS number of 3-Octen-2-ol is 76649-14-4.
What is the molecular formula of 3-Octen-2-ol?
The molecular formula of 3-Octen-2-ol is C8H16O.
What is the molecular weight of 3-Octen-2-ol?
The molecular weight of 3-Octen-2-ol is 128.12 g/mol.
Where can I buy 3-Octen-2-ol?
You can request a quote for 3-Octen-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octen-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Octen-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.