5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate
TL;DR: 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate (CAS 57211-60-6) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate
Also Known As: 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate, 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate #, (1r-1-isopropenyl-4-methyl-1,3-cyclohexanediol3-acetate, (5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate, (1R-(1Alpha,3beta,4beta))-1-isopropenyl-4-methyl-1,3-cyclohexanediol 3-acetate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 57211-60-6 |
|---|---|
| SMILES | CC1CCC(CC1OC(=O)C)(C(=C)C)O |
| InChIKey | DSXIQNCWWVFAAU-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate (CAS 57211-60-6), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: (5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexyl) acetate.
Chemical Property Profile of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate
Property Insights of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate?
The CAS number of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate is 57211-60-6.
What is the molecular formula of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate?
The molecular formula of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate is C12H20O3.
What is the molecular weight of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate?
The molecular weight of 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate is 212.14 g/mol.
Where can I buy 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate?
You can request a quote for 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-5-isopropenyl-2-methylcyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.