3-Cyclohexene-1-carboxylic acid
TL;DR: 3-Cyclohexene-1-carboxylic acid (CAS 4771-80-6) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohex-3-ene-1-carboxylic acid
Also Known As: 3-Cyclohexene-1-carboxylic acid, cyclohex-3-enecarboxylic acid, Cyclohex-3-ene-1-carboxylic acid, 3-CYCLOHEXENECARBOXYLIC ACID, Naphthenic acid
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.06808 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.06808 Da |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
| SMILES | C1CC(CC=C1)C(=O)O |
| InChIKey | VUSWCWPCANWBFG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Cyclohexene-1-carboxylic acid
Property Insights of 3-Cyclohexene-1-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Cyclohexene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Cyclohexene-1-carboxylic acid?
The CAS number of 3-Cyclohexene-1-carboxylic acid is 4771-80-6.
What is the molecular formula of 3-Cyclohexene-1-carboxylic acid?
The molecular formula of 3-Cyclohexene-1-carboxylic acid is C7H10O2.
What is the molecular weight of 3-Cyclohexene-1-carboxylic acid?
The molecular weight of 3-Cyclohexene-1-carboxylic acid is 126.06808 g/mol.
Where can I buy 3-Cyclohexene-1-carboxylic acid?
You can request a quote for 3-Cyclohexene-1-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyclohexene-1-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-Cyclohexene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.