Butanoic acid, 1,2-dimethylpropyl ester
TL;DR: Butanoic acid, 1,2-dimethylpropyl ester (CAS 88736-68-9) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutan-2-yl butanoate
Also Known As: 3-methylbutan-2-yl butanoate, Butanoic acid, 1,2-dimethylpropyl ester, 3-Methyl-2-butanyl butyrate, 1,2-DIMETHYLPROPYL BUTANOATE, RefChem:330659
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 88736-68-9 |
|---|---|
| SMILES | CCCC(=O)OC(C)C(C)C |
| InChIKey | YBSMWGNIGFSKPE-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 1,2-dimethylpropyl ester (CAS 88736-68-9), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 3-methylbutan-2-yl butanoate.
Chemical Property Profile of Butanoic acid, 1,2-dimethylpropyl ester
Property Insights of Butanoic acid, 1,2-dimethylpropyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 1,2-dimethylpropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 1,2-dimethylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 1,2-dimethylpropyl ester 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 Butanoic acid, 1,2-dimethylpropyl ester?
The CAS number of Butanoic acid, 1,2-dimethylpropyl ester is 88736-68-9.
What is the molecular formula of Butanoic acid, 1,2-dimethylpropyl ester?
The molecular formula of Butanoic acid, 1,2-dimethylpropyl ester is C9H18O2.
What is the molecular weight of Butanoic acid, 1,2-dimethylpropyl ester?
The molecular weight of Butanoic acid, 1,2-dimethylpropyl ester is 158.13 g/mol.
Where can I buy Butanoic acid, 1,2-dimethylpropyl ester?
You can request a quote for Butanoic acid, 1,2-dimethylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 1,2-dimethylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 1,2-dimethylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.