2-Methylpentyl 2-methylbutyrate
TL;DR: 2-Methylpentyl 2-methylbutyrate (CAS 83783-88-4) 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.
2-methylpentyl 2-methylbutanoate
Also Known As: 2-methylpentyl 2-methylbutanoate, 2-Methylpentyl 2-methylbutyrate, EINECS 280-823-1, 2-Methylbutanoic acid 2-methylpentyl ester, Butanoic acid,2-methyl-, 2-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 | 143.02571 |
Chemical Identifiers
| CAS Number | 83783-88-4 |
|---|---|
| SMILES | CCCC(C)COC(=O)C(C)CC |
Product Overview
2-Methylpentyl 2-methylbutyrate (CAS 83783-88-4), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2-methylpentyl 2-methylbutanoate.
Chemical Property Profile of 2-Methylpentyl 2-methylbutyrate
Property Insights of 2-Methylpentyl 2-methylbutyrate
The XLogP value of 3.0119 indicates that 2-Methylpentyl 2-methylbutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylpentyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpentyl 2-methylbutyrate 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 2-Methylpentyl 2-methylbutyrate?
The CAS number of 2-Methylpentyl 2-methylbutyrate is 83783-88-4.
What is the molecular formula of 2-Methylpentyl 2-methylbutyrate?
The molecular formula of 2-Methylpentyl 2-methylbutyrate is C11H22O2.
What is the molecular weight of 2-Methylpentyl 2-methylbutyrate?
The molecular weight of 2-Methylpentyl 2-methylbutyrate is 186.16 g/mol.
Where can I buy 2-Methylpentyl 2-methylbutyrate?
You can request a quote for 2-Methylpentyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpentyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpentyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.