TL;DR: 2-Cyclohexen-1-ol, 3-methyl- (CAS 21378-21-2) is a chemical compound with molecular formula C7H12O and molecular weight 112.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylcyclohex-2-en-1-ol
Also Known As: 3-Methyl-2-cyclohexen-1-ol, 3-Methylcyclohex-2-enol, 3-Methylcyclohex-2-en-1-ol, Seudenol, 1-Methyl-1-cyclohexen-3-ol
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H12O |
| Molecular Weight | 112.08881 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 Da |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
| SMILES | CC1=CC(CCC1)O |
| InChIKey | XNDZQQSKSQTQQD-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-ol, 3-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Cyclohexen-1-ol, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-ol, 3-methyl- has 1 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 2-Cyclohexen-1-ol, 3-methyl- is 21378-21-2.
The molecular formula of 2-Cyclohexen-1-ol, 3-methyl- is C7H12O.
The molecular weight of 2-Cyclohexen-1-ol, 3-methyl- is 112.08881 g/mol.
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