4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
TL;DR: 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid (CAS 107821-52-3) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
Also Known As: 1-hexen-2-yl benzoate, 4-(4-methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid, J1.676.940A, 4-(4-METHYLPENT-3-EN-1-YL)CYCLOHEX-4-ENE-1,2-DICARBOXYLIC ACID, 4-Cyclohexene-1,2-dicarboxylic acid, 4-(4-methyl-3-pentenyl)-
Technical Specifications
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.13615 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.13615 Da |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
| SMILES | CC(=CCCC1=CCC(C(C1)C(=O)O)C(=O)O)C |
| InChIKey | IOFGDWLJZRGXRM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
Property Insights of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid?
The CAS number of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid is 107821-52-3.
What is the molecular formula of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid?
The molecular formula of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid is C14H20O4.
What is the molecular weight of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid?
The molecular weight of 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid is 252.13615 g/mol.
Where can I buy 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid?
You can request a quote for 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Methylpent-3-enyl)cyclohex-4-ene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.