6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid
TL;DR: 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid (CAS 196408-17-0) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(acetyloxymethyl)-3-methylcyclohex-3-ene-1-carboxylic acid
Also Known As: 6-(ACETOXYMETHYL)-3-METHYL-3-CYCLOHEXENE-1-CARBOXYLIC ACID, 6-(acetyloxymethyl)-3-methyl-cyclohex-3-ene-1-carboxylic Acid, 6-(acetyloxymethyl)-3-methylcyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.6066 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 292.96304 |
Chemical Identifiers
| CAS Number | 196408-17-0 |
|---|---|
| SMILES | CC1=CCC(C(C1)C(=O)O)COC(=O)C |
Product Overview
6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid (CAS 196408-17-0), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: 6-(acetyloxymethyl)-3-methylcyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid
Property Insights of 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid
The XLogP value of 1.6066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid. Following Lipinski's Rule of Five, 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid has 1 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 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid?
The CAS number of 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid is 196408-17-0.
What is the molecular formula of 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid?
The molecular formula of 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid is C11H16O4.
What is the molecular weight of 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid?
The molecular weight of 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid is 212.10 g/mol.
Where can I buy 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid?
You can request a quote for 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(Acetoxymethyl)-3-methyl-3-cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.