Basic information
- CAS
18445-88-0- Standard SMILES
CC(C)=CCC/C(C)=C/CCC=O- InChIKey
MMLYERLRGHVBEK-XYOKQWHBSA-N- Molecular formula
- C12H20O
- Average molar mass
- 180.29 g/mol
- Monoisotopic mass
- 180.15141526
Names & identifiers
- Preferred name
- 5,9-Dimethyl-4,8-decadienal, (4E)-
- IUPAC
- (4E)-5,9-dimethyldeca-4,8-dienal
Names & synonyms
GeraldehydeDIMETHYL DECADIENALUNII-Z8M7ZE42RA5,9-Dimethyl-4,8-decadienal, (4E)-Z8M7ZE42RA4,8-Decadienal, 5,9-dimethyl-, (E)-4,8-Decadienal, 5,9-dimethyl-, (4E)-18445-88-0DTXSID50171577RefChem:101465DTXCID1094068DIMETHYL DECADIENAL [INCI]
Show more names
(4E)-5,9-dimethyldeca-4,8-dienalSCHEMBL228928SCHEMBL7295871MMLYERLRGHVBEK-XYOKQWHBSA-N(4E)-5,9-dimethyl-4,8-decadienalQ27295148
Database identifiers
- CAS
18445-88-0- PubChem CID
- 5365877
- DTXSID
DTXSID50171577- UNII
- Z8M7ZE42RA
- Nikkaji
- J193.126A、J2.477.726J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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