3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid
TL;DR: 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid (CAS 14393-45-4) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
Also Known As: NCIStruc1_000210, NCIStruc2_000021, NCI60_001705, 3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)acrylic acid
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 14393-45-4 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=O)O |
| InChIKey | RCVGWZAQWMJQHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid (CAS 14393-45-4), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid
Property Insights of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic 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
Frequently Asked Questions
What is the CAS number of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid?
The CAS number of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid is 14393-45-4.
What is the molecular formula of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid?
The molecular formula of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid is C12H18O2.
What is the molecular weight of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid?
The molecular weight of 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid is 194.13 g/mol.
Where can I buy 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid?
You can request a quote for 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6,6-Trimethylcyclohexen-1-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.