1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
TL;DR: 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde (CAS 66327-54-6) is a chemical compound with molecular formula C14H24O and molecular weight 208.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Also Known As: Vernaldehyde, green carbaldehyde, 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde, Vernaldehyde (Sum of isomers), 1-Methyl-4-(4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H24O |
| Molecular Weight | 208.18271 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.18271 Da |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
| SMILES | CC(C)CCCC1=CCC(CC1)(C)C=O |
| InChIKey | MVTYXAVPKZRAMW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Property Insights of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
The XLogP value of 3.8 indicates that 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
The CAS number of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is 66327-54-6.
What is the molecular formula of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
The molecular formula of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is C14H24O.
What is the molecular weight of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
The molecular weight of 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde is 208.18271 g/mol.
Where can I buy 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
You can request a quote for 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.