(3Z)-4-methylhexa-3,5-dien-2-one
Basic information
- CAS
51905-49-8- Standard SMILES
C=C/C(C)=C\C(C)=O- InChIKey
NCSJOYOCUVCODH-WAYWQWQTSA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
Names & identifiers
- Preferred name
- (3Z)-4-methylhexa-3,5-dien-2-one
- IUPAC
- (3Z)-4-methylhexa-3,5-dien-2-one
- English name
- 3,5-Hexadien-2-one, 4-methyl-, (Z)- (9CI)
- Molecular formula
- C7H10O
- Molecular weight
- 110.15
Names & synonyms
3,5-Hexadien-2-one, 4-methyl-, (Z)- (9CI)
Database identifiers
- CAS
51905-49-8- Nikkaji
- J944.428I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 64 · 64-65 °C(Press: 20 Torr)
- Density
- 0.849 · 0.849±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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