1-Methylpentyl acetate
TL;DR: 1-Methylpentyl acetate (CAS 5953-49-1) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexan-2-yl acetate
Also Known As: 1-Methylpentyl acetate, hexan-2-yl acetate, 2-Hexyl acetate, 2-Hexanol, acetate, Methylamyl acetate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 5953-49-1 |
|---|---|
| SMILES | CCCCC(C)OC(=O)C |
| InChIKey | RXTNIJMLAQNTEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylpentyl acetate (CAS 5953-49-1), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: hexan-2-yl acetate.
Chemical Property Profile of 1-Methylpentyl acetate
Property Insights of 1-Methylpentyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylpentyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylpentyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylpentyl 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-Methylpentyl acetate?
The CAS number of 1-Methylpentyl acetate is 5953-49-1.
What is the molecular formula of 1-Methylpentyl acetate?
The molecular formula of 1-Methylpentyl acetate is C8H16O2.
What is the molecular weight of 1-Methylpentyl acetate?
The molecular weight of 1-Methylpentyl acetate is 144.12 g/mol.
Where can I buy 1-Methylpentyl acetate?
You can request a quote for 1-Methylpentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylpentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylpentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.