1-Methyl-1,2-cyclohexanediol
TL;DR: 1-Methyl-1,2-cyclohexanediol (CAS 133964-50-8) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylcyclohexane-1,2-diol
Also Known As: 1-methylcyclohexane-1,2-diol, 1-Methyl-1,2-cyclohexanediol, 1-Methylcyclohexane-cis-1,2-diol, 1,2-Cyclohexanediol, 1-methyl-, trans-, trans-1-Methyl-1,2-cyclohexanediol
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| SMILES | CC1(CCCCC1O)O |
| InChIKey | IOZFUGDROBQPNP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-1,2-cyclohexanediol
Property Insights of 1-Methyl-1,2-cyclohexanediol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1,2-cyclohexanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Methyl-1,2-cyclohexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1,2-cyclohexanediol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Methyl-1,2-cyclohexanediol?
The CAS number of 1-Methyl-1,2-cyclohexanediol is 133964-50-8.
What is the molecular formula of 1-Methyl-1,2-cyclohexanediol?
The molecular formula of 1-Methyl-1,2-cyclohexanediol is C7H14O2.
What is the molecular weight of 1-Methyl-1,2-cyclohexanediol?
The molecular weight of 1-Methyl-1,2-cyclohexanediol is 130.09938 g/mol.
Where can I buy 1-Methyl-1,2-cyclohexanediol?
You can request a quote for 1-Methyl-1,2-cyclohexanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-1,2-cyclohexanediol?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-1,2-cyclohexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.