5-Methyl-4-methylidenehex-5-en-2-one
Basic information
- CAS
117970-84-0- Standard SMILES
C=C(C)C(=C)CC(C)=O- InChIKey
NLPDRDBESAJILX-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-4-methylidenehex-5-en-2-one
- IUPAC
- 5-methyl-4-methylidenehex-5-en-2-one
- English name
- 5-Hexen-2-one, 5-methyl-4-methylene- (9CI)
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
5-Methyl-4-methylidenehex-5-en-2-one5-Hexen-2-one, 5-methyl-4-methylene- (9CI)117970-84-05-Hexen-2-one, 5-methyl-4-methylene-
Database identifiers
- CAS
117970-84-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 178.7 · 178.7±9.0 °C(Predicted)
- Density
- 0.841 · 0.841±0.06 g/cm3(Predicted)
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Compound notes
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