2,6-Octadienal
Basic information
- CAS
149231-57-2- Standard SMILES
CC=CCCC=CC=O- InChIKey
CBXNRMOWVZUZQA-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 2,6-Octadienal
- IUPAC
- octa-2,6-dienal
Names & synonyms
149231-57-22,6-OctadienalRefChem:1060347octa-2,6-dienal1-2,6-octadienalSCHEMBL245165SCHEMBL7359094(E,E)-2,6-octadien-1-alDTXSID60866588
Database identifiers
- CAS
149231-57-2- PubChem CID
- 62121
- DTXSID
DTXSID60866588
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
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Compound notes
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