Dodeca-4,8,11-trienal
Basic information
- CAS
1000399-21-2- Standard SMILES
C=CCC=CCCC=CCCC=O- InChIKey
SIYBPTIIYPOCTE-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Overview
See also: 4,8,11-Dodecatrienal (annotation moved to).
Names & identifiers
- Preferred name
- Dodeca-4,8,11-trienal
- IUPAC
- dodeca-4,8,11-trienal
Names & synonyms
4,8,11-dodecatrienalSCHEMBL3188739DTXSID9013722111000399-21-2
Database identifiers
- CAS
1000399-21-2- PubChem CID
- 75238293
- DTXSID
DTXSID901372211
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
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Related reactions
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Compound notes
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