Basic information
- CAS
19889-93-1- Standard SMILES
C=C[C@@H](/C=C(\C)C=O)C(=C)C- InChIKey
ZAHSWUIALVFBCT-ZKXNXJMVSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
Overview
Lyratal has been reported in Santolina corsica with data available.
Names & identifiers
- Preferred name
- (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dienal
- IUPAC
- (2E,4S)-4-ethenyl-2,5-dimethylhexa-2,5-dienal
- English name
- (2E,S)-2,5-Dimethyl-4-vinyl-2,5-hexadienal
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
Lyratal(2E,S)-2,5-Dimethyl-4-vinyl-2,5-hexadienal2,5-Hexadienal, 4-ethenyl-2,5-dimethyl-, (2E,4S)-
Database identifiers
- CAS
19889-93-1- Nikkaji
- J409.253H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 230.7 · 230.7±29.0 °C(Predicted)
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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