Basic information
- CAS
6048-88-0- Standard SMILES
CC(C)=CCCC(C)=CC=CC=O- InChIKey
BSKPLLBQVGLMGO-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 5,9-Dimethyl-2,4,8-decatrienal
- IUPAC
- 5,9-dimethyldeca-2,4,8-trienal
Names & synonyms
6048-88-05,9-Dimethyl-2,4,8-decatrienalRefChem:2989935,9-Dimethyldeca-2,4,8-trienalSCHEMBL8699975SCHEMBL8699980BSKPLLBQVGLMGO-UHFFFAOYSA-NDTXSID901306230NS00044889
Database identifiers
- CAS
6048-88-0- PubChem CID
- 111143
- DTXSID
DTXSID901306230- EC Number
- 227-947-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2,4,8-Decatrienal, 5,9-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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