3-Methylpentyl acetate
TL;DR: 3-Methylpentyl acetate (CAS 35897-13-3) 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.
3-methylpentyl acetate
Also Known As: 3-Methylpentyl acetate, 3-METHYLPENTYLACETATE, NFYJZIICTJCGOR-UHFFFAOYSA-, Acetic Acid 3-Methylpentyl Ester, EINECS 252-785-6
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.9857 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 99.43071 |
Chemical Identifiers
| CAS Number | 35897-13-3 |
|---|---|
| SMILES | CCC(C)CCOC(=O)C |
Product Overview
3-Methylpentyl acetate (CAS 35897-13-3), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 3-methylpentyl acetate.
Chemical Property Profile of 3-Methylpentyl acetate
Property Insights of 3-Methylpentyl acetate
The XLogP value of 1.9857 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylpentyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylpentyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Methylpentyl acetate?
The CAS number of 3-Methylpentyl acetate is 35897-13-3.
What is the molecular formula of 3-Methylpentyl acetate?
The molecular formula of 3-Methylpentyl acetate is C8H16O2.
What is the molecular weight of 3-Methylpentyl acetate?
The molecular weight of 3-Methylpentyl acetate is 144.12 g/mol.
Where can I buy 3-Methylpentyl acetate?
You can request a quote for 3-Methylpentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylpentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylpentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.