(6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate
TL;DR: (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate (CAS 58488-08-7) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate
Also Known As: 2-Hydroxymethyl-6-isopropyl-3-methyl-cyclohexanon, (6-methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate, Acetic acid (3S,6R)-3-isopropyl-6-methyl-2-oxo-cyclohexylmethyl ester
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 2.4369 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 270.35126 |
Chemical Identifiers
| CAS Number | 58488-08-7 |
|---|---|
| SMILES | CC1CCC(C(=O)C1COC(=O)C)C(C)C |
Product Overview
(6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate (CAS 58488-08-7), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: (6-methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate.
Chemical Property Profile of (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate
Property Insights of (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate
The XLogP value of 2.4369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate. With a topological polar surface area (TPSA) of 43.37 Ų, (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate has 0 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 (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate?
The CAS number of (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate is 58488-08-7.
What is the molecular formula of (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate?
The molecular formula of (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate is C13H22O3.
What is the molecular weight of (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate?
The molecular weight of (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate is 226.16 g/mol.
Where can I buy (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate?
You can request a quote for (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (6-Methyl-2-oxo-3-propan-2-ylcyclohexyl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.