2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
TL;DR: 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (CAS 73052-17-2) 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-trimethylcyclohex-2-en-1-yl)prop-2-enoic acid
Also Known As: 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-enoic acid, (E)-3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-enoic 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 | 285.0 |
Chemical Identifiers
| CAS Number | 73052-17-2 |
|---|---|
| SMILES | CC1=CCCC(C1C=CC(=O)O)(C)C |
| InChIKey | MBPJEWGHOUWRLB-UHFFFAOYSA-N |
Product Overview
2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (CAS 73052-17-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 3-(2,6,6-trimethylcyclohex-2-en-1-yl)prop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
Property Insights of 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- 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 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
The CAS number of 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is 73052-17-2.
What is the molecular formula of 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
The molecular formula of 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is C12H18O2.
What is the molecular weight of 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
The molecular weight of 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- is 194.13 g/mol.
Where can I buy 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
You can request a quote for 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid,3-(2,6,6-trimethyl-2-cyclohexen-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.