TL;DR: Cyclohexenecarboxaldehyde, (4-methyl-3-penten-1-yl)- (CAS 54323-26-1) is a chemical compound with molecular formula C13H20O and molecular weight 192.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-pent-3-enylcyclohexene-1-carbaldehyde
Also Known As: Cyclohexenecarboxaldehyde, (4-methyl-3-pentenyl)-, (4-Methyl-3-pentenyl)cyclohexenecarbaldehyde, Cyclohexenecarboxaldehyde, (4-methyl-3-penten-1-yl)-, 4-methyl-3-pent-3-enylcyclohexene-1-carbaldehyde, 4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
| Molecular Formula | C13H20O |
| Molecular Weight | 192.15141 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.15141 Da |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
| SMILES | CC=CCCC1C=C(CCC1C)C=O |
| InChIKey | QBOPCAJPPUDVNQ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Cyclohexenecarboxaldehyde, (4-methyl-3-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, Cyclohexenecarboxaldehyde, (4-methyl-3-penten-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexenecarboxaldehyde, (4-methyl-3-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 Cyclohexenecarboxaldehyde, (4-methyl-3-penten-1-yl)- is 54323-26-1.
The molecular formula of Cyclohexenecarboxaldehyde, (4-methyl-3-penten-1-yl)- is C13H20O.
The molecular weight of Cyclohexenecarboxaldehyde, (4-methyl-3-penten-1-yl)- is 192.15141 g/mol.
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