TL;DR: 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)- (CAS 67746-28-5) is a chemical compound with molecular formula C14H22O and molecular weight 206.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-(4-methylpent-4-enyl)cyclohex-3-ene-1-carbaldehyde
Also Known As: 1-Formyl-1-methyl-4-(4-methyl-4-pentenyl)-3-cyclohexene, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-pentenyl)-, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)-, 1-Methyl-4-(4-methyl-4-pentenyl)-3-cyclohexene-1-carbaldehyde, 1-METHYL-4-(4-METHYLPENT-4-EN-1-YL)CYCLOHEX-3-ENE-1-CARBALDEHYDE
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.16707 Da |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
| SMILES | CC(=C)CCCC1=CCC(CC1)(C)C=O |
| InChIKey | BNUNNHANDKGXBY-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)- is 67746-28-5.
The molecular formula of 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)- is C14H22O.
The molecular weight of 3-Cyclohexene-1-carboxaldehyde, 1-methyl-4-(4-methyl-4-penten-1-yl)- is 206.16707 g/mol.
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