1-Methylcyclohexanecarboxylic acid, isopropyl ester
TL;DR: 1-Methylcyclohexanecarboxylic acid, isopropyl ester (CAS 6553-86-2) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 1-methylcyclohexane-1-carboxylate
Also Known As: isopropyl 1-methylcyclohexanecarboxylate, propan-2-yl 1-methylcyclohexane-1-carboxylate, 1-Methylcyclohexanecarboxylic acid, isopropyl ester, 1-Methylcyclohexanecarboxylic acid isopropyl ester, 1-Methyl-1-cyclohexanecarboxylic acid isopropyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.9084 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 178.5293 |
Chemical Identifiers
| CAS Number | 6553-86-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1(CCCCC1)C |
Product Overview
1-Methylcyclohexanecarboxylic acid, isopropyl ester (CAS 6553-86-2), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: propan-2-yl 1-methylcyclohexane-1-carboxylate.
Chemical Property Profile of 1-Methylcyclohexanecarboxylic acid, isopropyl ester
Property Insights of 1-Methylcyclohexanecarboxylic acid, isopropyl ester
The XLogP value of 2.9084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylcyclohexanecarboxylic acid, isopropyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methylcyclohexanecarboxylic acid, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylcyclohexanecarboxylic acid, isopropyl 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 1-Methylcyclohexanecarboxylic acid, isopropyl ester?
The CAS number of 1-Methylcyclohexanecarboxylic acid, isopropyl ester is 6553-86-2.
What is the molecular formula of 1-Methylcyclohexanecarboxylic acid, isopropyl ester?
The molecular formula of 1-Methylcyclohexanecarboxylic acid, isopropyl ester is C11H20O2.
What is the molecular weight of 1-Methylcyclohexanecarboxylic acid, isopropyl ester?
The molecular weight of 1-Methylcyclohexanecarboxylic acid, isopropyl ester is 184.15 g/mol.
Where can I buy 1-Methylcyclohexanecarboxylic acid, isopropyl ester?
You can request a quote for 1-Methylcyclohexanecarboxylic acid, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylcyclohexanecarboxylic acid, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylcyclohexanecarboxylic acid, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.