1-Octyn-3-ol, 3,6-dimethyl-
TL;DR: 1-Octyn-3-ol, 3,6-dimethyl- (CAS 81708-87-4) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyloct-1-yn-3-ol
Also Known As: 1-Octyn-3-ol, 3,6-dimethyl-, 3,6-dimethyloct-1-yn-3-ol, 3,6-Dimethyl-1-octyn-3-ol, 3,6-Dimethyl-oct-1-yn-3ol, 3,6-Dimethyl-1-octyne-3-ol
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 81708-87-4 |
|---|---|
| SMILES | CCC(C)CCC(C)(C#C)O |
| InChIKey | RCNQUZFTDSPUSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octyn-3-ol, 3,6-dimethyl- (CAS 81708-87-4), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: 3,6-dimethyloct-1-yn-3-ol.
Chemical Property Profile of 1-Octyn-3-ol, 3,6-dimethyl-
Property Insights of 1-Octyn-3-ol, 3,6-dimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octyn-3-ol, 3,6-dimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Octyn-3-ol, 3,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyn-3-ol, 3,6-dimethyl- 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 1-Octyn-3-ol, 3,6-dimethyl-?
The CAS number of 1-Octyn-3-ol, 3,6-dimethyl- is 81708-87-4.
What is the molecular formula of 1-Octyn-3-ol, 3,6-dimethyl-?
The molecular formula of 1-Octyn-3-ol, 3,6-dimethyl- is C10H18O.
What is the molecular weight of 1-Octyn-3-ol, 3,6-dimethyl-?
The molecular weight of 1-Octyn-3-ol, 3,6-dimethyl- is 154.14 g/mol.
Where can I buy 1-Octyn-3-ol, 3,6-dimethyl-?
You can request a quote for 1-Octyn-3-ol, 3,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octyn-3-ol, 3,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octyn-3-ol, 3,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.