TL;DR: Cyclohexene, 1,3,5-trimethyl-4-(1-methylethenyl)- (CAS 67845-78-7) is a chemical compound with molecular formula C12H20 and molecular weight 164.1565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5-trimethyl-4-prop-1-en-2-ylcyclohexene
Also Known As: 3,5-dimethyllimonene, 1,3,5-Trimethyl-4-(isopropenyl)-1-cyclohexene, 1,3,5-trimethyl-4- cyclohexene, 1,3,5-Trimethyl-4-(1-methylvinyl)cyclohexene, KST-1B7459
| Molecular Formula | C12H20 |
| Molecular Weight | 164.1565 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.1565 Da |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
| SMILES | CC1CC(=CC(C1C(=C)C)C)C |
| InChIKey | JARFYGJEQCRGOP-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Cyclohexene, 1,3,5-trimethyl-4-(1-methylethenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Cyclohexene, 1,3,5-trimethyl-4-(1-methylethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexene, 1,3,5-trimethyl-4-(1-methylethenyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cyclohexene, 1,3,5-trimethyl-4-(1-methylethenyl)- is 67845-78-7.
The molecular formula of Cyclohexene, 1,3,5-trimethyl-4-(1-methylethenyl)- is C12H20.
The molecular weight of Cyclohexene, 1,3,5-trimethyl-4-(1-methylethenyl)- is 164.1565 g/mol.
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