6-Methyl-6-hepten-4-yn-3-ol
TL;DR: 6-Methyl-6-hepten-4-yn-3-ol (CAS 95764-76-4) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylhept-6-en-4-yn-3-ol
Also Known As: 6-Methyl-6-hepten-4-yn-3-ol, 6-methylhept-6-en-4-yn-3-ol, 6-Hepten-4-yn-3-ol,6-methyl-, TIMTEC-BB SBB009071, 2-(4-methoxyphenyl)-2-piperidin-1-ylethanamine
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 95764-76-4 |
|---|---|
| SMILES | CCC(C#CC(=C)C)O |
| InChIKey | DUDZQARPXNGCOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-6-hepten-4-yn-3-ol (CAS 95764-76-4), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 6-methylhept-6-en-4-yn-3-ol.
Chemical Property Profile of 6-Methyl-6-hepten-4-yn-3-ol
Property Insights of 6-Methyl-6-hepten-4-yn-3-ol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-6-hepten-4-yn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 6-Methyl-6-hepten-4-yn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-6-hepten-4-yn-3-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 6-Methyl-6-hepten-4-yn-3-ol?
The CAS number of 6-Methyl-6-hepten-4-yn-3-ol is 95764-76-4.
What is the molecular formula of 6-Methyl-6-hepten-4-yn-3-ol?
The molecular formula of 6-Methyl-6-hepten-4-yn-3-ol is C8H12O.
What is the molecular weight of 6-Methyl-6-hepten-4-yn-3-ol?
The molecular weight of 6-Methyl-6-hepten-4-yn-3-ol is 124.09 g/mol.
Where can I buy 6-Methyl-6-hepten-4-yn-3-ol?
You can request a quote for 6-Methyl-6-hepten-4-yn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-6-hepten-4-yn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-6-hepten-4-yn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.