(1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate
TL;DR: (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate (CAS 57237-40-8) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
Also Known As: Tuberyl acetate, neo-dihydro carveol acetate, (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate, [(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.9304 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 232.47623 |
Chemical Identifiers
| CAS Number | 57237-40-8 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C[C@@H]1OC(=O)C)C(=C)C |
Product Overview
(1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate (CAS 57237-40-8), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: [(1S,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate.
Chemical Property Profile of (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate
Property Insights of (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate
The XLogP value of 2.9304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate has 0 hydrogen bond donor(s) and 2 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 (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate?
The CAS number of (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate is 57237-40-8.
What is the molecular formula of (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate?
The molecular formula of (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate is C12H20O2.
What is the molecular weight of (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate?
The molecular weight of (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate is 196.15 g/mol.
Where can I buy (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate?
You can request a quote for (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,5R)-2-Methyl-5-(prop-1-en-2-yl)cyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.