Basic information
- Standard SMILES
COC(=O)C(=O)C(C)(C)C(=O)OC- InChIKey
ZFLFWELESUDQFW-UHFFFAOYSA-N- Molecular formula
- C8H12O5
- Average molar mass
- 188.18 g/mol
Names & identifiers
- Preferred name
- Dimethyl 2,2-dimethyl-3-oxobutanedioate
- IUPAC
- dimethyl 2,2-dimethyl-3-oxobutanedioate
Names & synonyms
dimethyl 2,2-dimethyl-3-oxosuccinatedimethyl 2,2-dimethyl-3-oxobutanedioateSCHEMBL321582ZFLFWELESUDQFW-UHFFFAOYSA-N100249-39-6DB-429638
Database identifiers
- PubChem CID
- 85519062
- Nikkaji
- J1.717.842C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 241
Related reactions
9 records
Compound notes
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