3-Methyl-1-hexyn-3-ol
TL;DR: 3-Methyl-1-hexyn-3-ol (CAS 4339-05-3) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylhex-1-yn-3-ol
Also Known As: 3-Methyl-1-hexyn-3-ol, 3-methylhex-1-yn-3-ol, 3-Methyl-1-hexen-3-ol, Ethynylmethylpropylcarbinol, Methylpropylethynylcarbinol
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 4339-05-3 |
|---|---|
| SMILES | CCCC(C)(C#C)O |
| InChIKey | DTGUZRPEDLHAAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1-hexyn-3-ol (CAS 4339-05-3), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 3-methylhex-1-yn-3-ol.
Chemical Property Profile of 3-Methyl-1-hexyn-3-ol
Property Insights of 3-Methyl-1-hexyn-3-ol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-hexyn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-1-hexyn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-hexyn-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 3-Methyl-1-hexyn-3-ol?
The CAS number of 3-Methyl-1-hexyn-3-ol is 4339-05-3.
What is the molecular formula of 3-Methyl-1-hexyn-3-ol?
The molecular formula of 3-Methyl-1-hexyn-3-ol is C7H12O.
What is the molecular weight of 3-Methyl-1-hexyn-3-ol?
The molecular weight of 3-Methyl-1-hexyn-3-ol is 112.09 g/mol.
Where can I buy 3-Methyl-1-hexyn-3-ol?
You can request a quote for 3-Methyl-1-hexyn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-hexyn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-hexyn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.