TL;DR: 6-Methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-ene-1-carbaldehyde (CAS 59742-21-1) 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.
6-methyl-3-(4-methylpent-3-enyl)cyclohex-2-ene-1-carbaldehyde
Also Known As: 6-methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-ene-1-carbaldehyde, 6-Methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde, 6-methyl-3-(4'-methyl-3'-pentenyl)-3-cyclohexenecarbaldehyde, 6-methyl-3-(4-methylpent-3-enyl)cyclohex-2-ene-1-carbaldehyde, EINECS 261-901-4
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.16707 Da |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
| SMILES | CC1CCC(=CC1C=O)CCC=C(C)C |
| InChIKey | ASSNVXMQNOJPMD-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 6-Methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-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, 6-Methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-ene-1-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-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.
The CAS number of 6-Methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-ene-1-carbaldehyde is 59742-21-1.
The molecular formula of 6-Methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-ene-1-carbaldehyde is C14H22O.
The molecular weight of 6-Methyl-3-(4-methylpent-3-en-1-yl)cyclohex-2-ene-1-carbaldehyde is 206.16707 g/mol.
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