2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
TL;DR: 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester (CAS 28043-10-9) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate
Also Known As: methyl cyclogeranate, Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate, EC 248-792-9, 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester, 2,6,6-Trimethyl-2-cyclohexene-1-carboxylic acid, methyl ester
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 28043-10-9 |
|---|---|
| SMILES | CC1=CCCC(C1C(=O)OC)(C)C |
| InChIKey | NVAGRWXDIIKUBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester (CAS 28043-10-9), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate.
Chemical Property Profile of 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
Property Insights of 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl 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 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester?
The CAS number of 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester is 28043-10-9.
What is the molecular formula of 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester?
The molecular formula of 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester is C11H18O2.
What is the molecular weight of 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester?
The molecular weight of 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester is 182.13 g/mol.
Where can I buy 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester?
You can request a quote for 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.