3-Octyn-1-ol
TL;DR: 3-Octyn-1-ol (CAS 14916-80-4) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oct-3-yn-1-ol
Also Known As: 3-Octyn-1-ol, oct-3-yn-1-ol, 5-Hexynenitrile, 3-octyne-1-ol, 1-Hydroxyoctin-(3)
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 14916-80-4 |
|---|---|
| SMILES | CCCCC#CCCO |
| InChIKey | LRZGRGVRZSDRTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Octyn-1-ol (CAS 14916-80-4), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: oct-3-yn-1-ol.
Chemical Property Profile of 3-Octyn-1-ol
Property Insights of 3-Octyn-1-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Octyn-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Octyn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Octyn-1-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-Octyn-1-ol?
The CAS number of 3-Octyn-1-ol is 14916-80-4.
What is the molecular formula of 3-Octyn-1-ol?
The molecular formula of 3-Octyn-1-ol is C8H14O.
What is the molecular weight of 3-Octyn-1-ol?
The molecular weight of 3-Octyn-1-ol is 126.10 g/mol.
Where can I buy 3-Octyn-1-ol?
You can request a quote for 3-Octyn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Octyn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Octyn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.