Methyl 1-methylcyclohex-3-ene-1-carboxylate
TL;DR: Methyl 1-methylcyclohex-3-ene-1-carboxylate (CAS 6493-80-7) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methylcyclohex-3-ene-1-carboxylate
Also Known As: Methyl 1-methylcyclohex-3-ene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid, 1-methyl-, methyl ester, 1-carbomethoxy-1-methylcyclohex-3-ene, 1-Methyl-3-cyclohexene-1-carboxylic acid methyl ester, 1-carbomethoxy-1 -methylcyclohex-3-ene
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 6493-80-7 |
|---|---|
| SMILES | CC1(CCC=CC1)C(=O)OC |
| InChIKey | GLCJULYDLTXOEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-methylcyclohex-3-ene-1-carboxylate (CAS 6493-80-7), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: methyl 1-methylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Methyl 1-methylcyclohex-3-ene-1-carboxylate
Property Insights of Methyl 1-methylcyclohex-3-ene-1-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-methylcyclohex-3-ene-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 1-methylcyclohex-3-ene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-methylcyclohex-3-ene-1-carboxylate 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 Methyl 1-methylcyclohex-3-ene-1-carboxylate?
The CAS number of Methyl 1-methylcyclohex-3-ene-1-carboxylate is 6493-80-7.
What is the molecular formula of Methyl 1-methylcyclohex-3-ene-1-carboxylate?
The molecular formula of Methyl 1-methylcyclohex-3-ene-1-carboxylate is C9H14O2.
What is the molecular weight of Methyl 1-methylcyclohex-3-ene-1-carboxylate?
The molecular weight of Methyl 1-methylcyclohex-3-ene-1-carboxylate is 154.10 g/mol.
Where can I buy Methyl 1-methylcyclohex-3-ene-1-carboxylate?
You can request a quote for Methyl 1-methylcyclohex-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-methylcyclohex-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-methylcyclohex-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.