Basic information
- CAS
1889-98-1- Standard SMILES
CC1(C)C(=O)C(=O)C(=O)C1(C)C- InChIKey
BXWXMHNZDGGRGX-UHFFFAOYSA-N- Molecular formula
- C9H12O3
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.07864424
Names & identifiers
- Preferred name
- 1,2,3 Cyclopentanetrione,4,4,5,5-tetramethyl-
- IUPAC
- 4,4,5,5-tetramethylcyclopentane-1,2,3-trione
- English name
- 4,4,5,5-tetramethylcyclopentane-1,2,3-trione
- Molecular formula
- C9H12O3
- Molecular weight
- 0
Names & synonyms
1889-98-14,4,5,5-tetramethylcyclopentane-1,2,3-trione1,2,3 Cyclopentanetrione,4,4,5,5-tetramethyl-DTXSID50172261
Database identifiers
- CAS
1889-98-1- PubChem CID
- 137249
- DTXSID
DTXSID50172261
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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