Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester
TL;DR: Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester (CAS 1842-56-4) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-oxo-2-propan-2-ylhexanoate
Also Known As: methyl 5-oxo-2-propan-2-ylhexanoate, Methyl 5-oxo-2-(propan-2-yl)hexanoate, 2-Isopropyl-5-oxo-hexansaeure-methylester, R-(+)-Methyl-2-isopropyl-5-oxohexanoate, Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 1842-56-4 |
|---|---|
| SMILES | CC(C)C(CCC(=O)C)C(=O)OC |
| InChIKey | FZJMREFGJONIGE-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester (CAS 1842-56-4), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: methyl 5-oxo-2-propan-2-ylhexanoate.
Chemical Property Profile of Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester
Property Insights of Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester has 0 hydrogen bond donor(s) and 3 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 Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester?
The CAS number of Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester is 1842-56-4.
What is the molecular formula of Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester?
The molecular formula of Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester is C10H18O3.
What is the molecular weight of Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester?
The molecular weight of Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester is 186.13 g/mol.
Where can I buy Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester?
You can request a quote for Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.