Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Basic information
- CAS
59373-32-9- Standard SMILES
COC(=O)C1C(=O)CC(=O)CC1(C)C- InChIKey
SVEBLMFGANLNNQ-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
- IUPAC
- methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
- English name
- Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, 97
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
59373-32-9Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylateEINECS 261-720-0RefChem:157196261-720-0methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylateMethyl2,2-dimethyl-4,6-dioxocyclohexanecarboxylateMaybridge1_006923HMS561C15SCHEMBL9851192TE5727VV5NDTXSID50974787
Show more names
Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, 972,2-Dimethyl-4,6-dioxocyclohexanecarboxylic acid methyl esterCyclohexanecarboxylic acid, 2,2-dimethyl-4,6-dioxo-, methyl ester
SVEBLMFGANLNNQ-UHFFFAOYSA-NMFCD00154564SBB083316AKOS005143057VS-08709CS-0319746NS00055963methyl 2,2-dimethyl-4,6-dioxo-cyclohexanecarboxylate
Database identifiers
- CAS
59373-32-9- PubChem CID
- 101027
- DTXSID
DTXSID50974787- UNII
- TE5727VV5N
- EC Number
- 261-720-0
- Nikkaji
- J308.673I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 92 · 92-93 °C
- Boiling point
- 300.3 · 300.3±42.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- pka
- 4.18 · 4.18±0.70(Predicted)
- LogP
- 0.27 · 0.270 (est)
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Related reactions
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Compound notes
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