3,7,9-Trimethyldeca-2,6-dienal
Basic information
- CAS
58605-97-3- Standard SMILES
C/C(=C\C=O)CC/C=C(\C)CC(C)C- InChIKey
INLBYQNSKXMVTI-SWZPTJTJSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 3,7,9-Trimethyldeca-2,6-dienal
- IUPAC
- (2E,6E)-3,7,9-trimethyldeca-2,6-dienal
Names & synonyms
3,7,9-trimethyldeca-2,6-dienalSCHEMBL8602793INLBYQNSKXMVTI-SWZPTJTJSA-N
Database identifiers
- CAS
58605-97-3- PubChem CID
- 6436719
- Nikkaji
- J429.375D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
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Compound notes
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