2,4-Dimethylhepta-2,6-dienal
Basic information
- CAS
85136-08-9- Standard SMILES
C=CCC(C)C=C(C)C=O- InChIKey
MIHSPYMZXYONJN-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 2,4-Dimethylhepta-2,6-dienal
- IUPAC
- 2,4-dimethylhepta-2,6-dienal
Names & synonyms
2,4-dimethylhepta-2,6-dienalSCHEMBL347738MIHSPYMZXYONJN-UHFFFAOYSA-NDTXSID801308576
Database identifiers
- CAS
85136-08-9- PubChem CID
- 174209
- DTXSID
DTXSID801308576
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 145
Related reactions
1 records
Compound notes
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