1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester
TL;DR: 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester (CAS 68826-23-3) 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 1,3,4-trimethylcyclohex-3-ene-1-carboxylate
Also Known As: Methyl 1,3,4-trimethylcyclohex-3-ene-1-carboxylate, 1,3,4-trimethyl-cyclohex-3-enecarboxylic acid methyl ester
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.686 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 252.81589 |
Chemical Identifiers
| CAS Number | 68826-23-3 |
|---|---|
| SMILES | CC1=C(CC(CC1)(C)C(=O)OC)C |
Product Overview
1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester (CAS 68826-23-3), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: methyl 1,3,4-trimethylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester
Property Insights of 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester
The XLogP value of 2.686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid 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 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester?
The CAS number of 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester is 68826-23-3.
What is the molecular formula of 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester?
The molecular formula of 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester is C11H18O2.
What is the molecular weight of 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester?
The molecular weight of 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester is 182.13 g/mol.
Where can I buy 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester?
You can request a quote for 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Trimethyl-cyclohex-3-enecarboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.