3-Methylpentyl isovalerate
TL;DR: 3-Methylpentyl isovalerate (CAS 35852-41-6) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpentyl 3-methylbutanoate
Also Known As: 3-Methylpentyl isovalerate, 3-methylpentyl 3-methylbutanoate, 3-methylpentylisovalerate, EINECS 252-758-9, 3-Methylbutanoic acid 3-methylpentyl ester
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.0119 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 141.02571 |
Chemical Identifiers
| CAS Number | 35852-41-6 |
|---|---|
| SMILES | CCC(C)CCOC(=O)CC(C)C |
Product Overview
3-Methylpentyl isovalerate (CAS 35852-41-6), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 3-methylpentyl 3-methylbutanoate.
Chemical Property Profile of 3-Methylpentyl isovalerate
Property Insights of 3-Methylpentyl isovalerate
The XLogP value of 3.0119 indicates that 3-Methylpentyl isovalerate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylpentyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylpentyl isovalerate 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 isovalerate?
The CAS number of 3-Methylpentyl isovalerate is 35852-41-6.
What is the molecular formula of 3-Methylpentyl isovalerate?
The molecular formula of 3-Methylpentyl isovalerate is C11H22O2.
What is the molecular weight of 3-Methylpentyl isovalerate?
The molecular weight of 3-Methylpentyl isovalerate is 186.16 g/mol.
Where can I buy 3-Methylpentyl isovalerate?
You can request a quote for 3-Methylpentyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylpentyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylpentyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.