(E)-4,8-dimethyldeca-4,9-dienal
Basic information
- CAS
71077-31-1- Standard SMILES
C=CC(C)CC/C=C(\C)CCC=O- InChIKey
QVEOSYKPYFNQAZ-XYOKQWHBSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- (E)-4,8-dimethyldeca-4,9-dienal
- IUPAC
- (4E)-4,8-dimethyldeca-4,9-dienal
Names & synonyms
(E)-4,8-dimethyldeca-4,9-dienalSCHEMBL228078DTXSID201025629(4E)-4,8-Dimethyl-4,9-decadienalNS0001229577016-39-8
Database identifiers
- CAS
71077-31-1、77016-39-8- PubChem CID
- 6437982
- DTXSID
DTXSID201025629- Nikkaji
- J308.704B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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