Cmldbu00002581
dimethyl 2-(3-oxocyclohexyl)propanedioate
Also Known As: dipropyl thiosulfonate|Propyl propane thiosulfonate|Propyl propanethiosulfonate|dimethyl 2-(3-oxocyclohexyl)propanedioate|dimethyl (3-oxocyclohexyl)malonate|2- -MALONICACIDDIMETHYLESTER|CMLD2_000035|Dimethyl 2-(3-oxocyclohexyl)malonate|Dimethyl (3-oxocyclohexyl)propanedioate|3-Oxocyclohexylmalonic acid dimethyl ester|NCI60_005493|(3-Oxocyclohexyl)malonic acid dimethyl ester|2-(3-Oxo-cyclohexyl)-malonic acid dimethyl ester|J1.089.812I|2-(3-Oxocyclohexyl)malonic acid dimethyl ester|1,3-DIMETHYL 2-(3-OXOCYCLOHEXYL)PROPANEDIOATE|4-(4-OXOQUINAZOLIN-3(4H)-YL)BUTANOICACID|propanedioic acid,(3-oxocyclohexyl)-,dimethyl ester|SR-05000001256-1|propanedioic acid, (3-oxocyclohexyl)-, dimethyl ester|Propanedioic acid, 2-(3-oxocyclohexyl)-, 1,3-dimethyl ester|Propanedioic acid,2-(3-oxocyclohexyl)-, 1,3-dimethyl ester
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.09978 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.09978 |
| Monoisotopic Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 33646-18-3 |
|---|---|
| SMILES | COC(=O)C(C1CCCC(=O)C1)C(=O)OC |
| InChIKey | XRRVFMYYAGGSJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cmldbu00002581 (CAS 33646-18-3), with molecular formula C11H16O5 and molecular weight 228.09978 g/mol. IUPAC: dimethyl 2-(3-oxocyclohexyl)propanedioate.
Cmldbu00002581 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »