Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato
Basic information
- CAS
6102-15-4- Standard SMILES
CCOC(=O)C1C(C)=CC(=O)CC1C- InChIKey
FMQHLVMBLLFWPK-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatato
- IUPAC
- ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
- English name
- 4-Carbethoxy-3,5-diMethyl-2-cyclohexene-1-one
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
6102-15-4DTXSID80976517Ethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylatatoRefChem:1084738DTXCID201403891Ethyl 2,6-dimethyl-4-oxocyclohex-2-enecarboxylateethyl 2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylateMFCD000194334-Carbethoxy-3,5-diMethyl-2-cyclohexene-1-oneethyl 2,6-dimethyl-4-oxo-2-cyclohexene-1-carboxylateNSC10140SCHEMBL28438080
Show more names
3,5-DiMethyl-4-carbethoxy-2-cyclohexen-1-oneN-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide2-Cyclohexene-1-carboxylic acid, 2,6-dimethyl-4-oxo-, ethyl ester
116059-75-7NSC-10140AKOS022505785BS-17207SY376554CS-0161503F51463Ethyl2,6-dimethyl-4-oxocyclohex-2-enecarboxylate
Database identifiers
- CAS
6102-15-4- PubChem CID
- 223002
- DTXSID
DTXSID80976517- Nikkaji
- J2.224.809J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 293.13 °C · 293.13°C (rough estimate)
- Density
- 1.0493 · 1.0493
- refractive index
- 1.4773 · 1.4773 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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