6,6-Dimethylhept-4-yn-1-ol
TL;DR: 6,6-Dimethylhept-4-yn-1-ol (CAS 73541-07-8) is a chemical compound with molecular formula C9H16O and molecular weight 140.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethylhept-4-yn-1-ol
Also Known As: 6,6-dimethylhept-4-yn-1-ol, 6,6-dimethyl-4-heptyn-1-ol, 4-Heptyn-1-ol, 6,6-dimethyl-, 4-Heptyn-1-ol,6,6-dimethyl, 6,6-Dimethyl-4-heptyne-1-ol
| Molecular Formula | C9H16O |
|---|---|
| Molecular Weight | 140.12 g/mol |
| LogP | 1.8084 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.12012 |
| Heavy Atoms | 10 |
| Complexity | 131.03282 |
Chemical Identifiers
| CAS Number | 73541-07-8 |
|---|---|
| SMILES | CC(C)(C)C#CCCCO |
Product Overview
6,6-Dimethylhept-4-yn-1-ol (CAS 73541-07-8), with molecular formula C9H16O and molecular weight 140.12 g/mol. IUPAC: 6,6-dimethylhept-4-yn-1-ol.
Chemical Property Profile of 6,6-Dimethylhept-4-yn-1-ol
Property Insights of 6,6-Dimethylhept-4-yn-1-ol
The XLogP value of 1.8084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethylhept-4-yn-1-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 6,6-Dimethylhept-4-yn-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethylhept-4-yn-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 6,6-Dimethylhept-4-yn-1-ol?
The CAS number of 6,6-Dimethylhept-4-yn-1-ol is 73541-07-8.
What is the molecular formula of 6,6-Dimethylhept-4-yn-1-ol?
The molecular formula of 6,6-Dimethylhept-4-yn-1-ol is C9H16O.
What is the molecular weight of 6,6-Dimethylhept-4-yn-1-ol?
The molecular weight of 6,6-Dimethylhept-4-yn-1-ol is 140.12 g/mol.
Where can I buy 6,6-Dimethylhept-4-yn-1-ol?
You can request a quote for 6,6-Dimethylhept-4-yn-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethylhept-4-yn-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethylhept-4-yn-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.