Basic information
- CAS
53268-44-3- Standard SMILES
CCOC(=O)C(C)(C(=O)OCC)C(C)(C)C- InChIKey
CVOBUHAGPHYJPC-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Names & identifiers
- Preferred name
- Diethyl tert-butylmethylmalonate
- IUPAC
- diethyl 2-tert-butyl-2-methylpropanedioate
Names & synonyms
DIETHYL TERT-BUTYLMETHYLMALONATE53268-44-3DTXSID20201390Diethyl tert-butyl(methyl)propanedioate
Database identifiers
- CAS
53268-44-3- PubChem CID
- 40706
- DTXSID
DTXSID20201390- Nikkaji
- J1.621.325J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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