![(S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone structure](/static/products/1649/164931-77-5.webp)
(S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone
TL;DR: (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone (CAS 164931-77-5) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.09978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-[(1S)-3-oxocyclohexyl]propanedioate
Also Known As: dimethyl (3-oxocyclohexyl)malonate, (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone, DIMETHYL (S)-2-(3-OXOCYCLOHEXYL)MALONATE, J1.262.343G, dimethyl 2-[(1S)-3-oxocyclohexyl]propanedioate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O5 |
| Molecular Weight | 228.09978 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.09978 Da |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
| SMILES | COC(=O)C([C@H]1CCCC(=O)C1)C(=O)OC |
| InChIKey | XRRVFMYYAGGSJO-ZETCQYMHSA-N |
Chemical Property Profile of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone
Property Insights of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone. Following Lipinski's Rule of Five, (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone?
The CAS number of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone is 164931-77-5.
What is the molecular formula of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone?
The molecular formula of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone is C11H16O5.
What is the molecular weight of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone?
The molecular weight of (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone is 228.09978 g/mol.
Where can I buy (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone?
You can request a quote for (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone?
Yes, CoreyChem provides custom synthesis services for (S)-3-[bis(methoxycarbonyl)methyl]cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.