Basic information
- CAS
19377-97-0- Standard SMILES
CC(C)=C/C(C)=C/C(=O)C(C)(C)C- InChIKey
KZKKQILWANYRQG-UHFFFAOYSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 2,2,5,7-Tetramethyl-4,6-octadiene-3-one
- IUPAC
- (4E)-2,2,5,7-tetramethylocta-4,6-dien-3-one
- English name
- 2,2,7,7-Tetramethyl-4,5-octadien-3-one
- Molecular formula
- C12H20O
- Molecular weight
- 180.29
Names & synonyms
19377-97-0(4E)-2,2,5,7-tetramethylocta-4,6-dien-3-one2,2,5,7-TETRAMETHYL-4,6-OCTADIENE-3-ONE2,2,7,7-Tetramethyl-4,5-octadien-3-one4,5-Octadien-3-one, 2,2,7,7-tetramethyl-
Database identifiers
- CAS
19377-97-0- PubChem CID
- 6433736
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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