1-Pentyn-3-ol, 3-methyl-, 3-acetate
TL;DR: 1-Pentyn-3-ol, 3-methyl-, 3-acetate (CAS 13907-99-8) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpent-1-yn-3-yl acetate
Also Known As: 3-methylpent-1-yn-3-yl acetate, 3-acetoxy-3-ethylbutyne, 3-acetoxy-3-methyl-1-pentyne, 3-Methyl-pentin-1-acetat-(3), 1-Pentyn-3-ol, 3-methyl-, acetate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 13907-99-8 |
|---|---|
| SMILES | CCC(C)(C#C)OC(=O)C |
| InChIKey | DTLIDVRKEFPSGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pentyn-3-ol, 3-methyl-, 3-acetate (CAS 13907-99-8), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 3-methylpent-1-yn-3-yl acetate.
Chemical Property Profile of 1-Pentyn-3-ol, 3-methyl-, 3-acetate
Property Insights of 1-Pentyn-3-ol, 3-methyl-, 3-acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentyn-3-ol, 3-methyl-, 3-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Pentyn-3-ol, 3-methyl-, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentyn-3-ol, 3-methyl-, 3-acetate has 0 hydrogen bond donor(s) and 2 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-Pentyn-3-ol, 3-methyl-, 3-acetate?
The CAS number of 1-Pentyn-3-ol, 3-methyl-, 3-acetate is 13907-99-8.
What is the molecular formula of 1-Pentyn-3-ol, 3-methyl-, 3-acetate?
The molecular formula of 1-Pentyn-3-ol, 3-methyl-, 3-acetate is C8H12O2.
What is the molecular weight of 1-Pentyn-3-ol, 3-methyl-, 3-acetate?
The molecular weight of 1-Pentyn-3-ol, 3-methyl-, 3-acetate is 140.08 g/mol.
Where can I buy 1-Pentyn-3-ol, 3-methyl-, 3-acetate?
You can request a quote for 1-Pentyn-3-ol, 3-methyl-, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentyn-3-ol, 3-methyl-, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentyn-3-ol, 3-methyl-, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.