Basic information
- CAS
84878-53-5- Standard SMILES
CC(=O)CC(/C=C(\C)CCC=C(C)C)CC(C)=O- InChIKey
VQJBKPGRSJADAG-UKTHLTGXSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Overview
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Names & identifiers
- Preferred name
- 4-(2,6-Dimethylhepta-1,5-dienyl)heptane-2,6-dione
- IUPAC
- 4-[(1E)-2,6-dimethylhepta-1,5-dienyl]heptane-2,6-dione
Names & synonyms
EINECS 284-446-34-(2,6-Dimethylhepta-1,5-dienyl)heptane-2,6-dioneVQJBKPGRSJADAG-UKTHLTGXSA-N
Database identifiers
- CAS
84878-53-5- PubChem CID
- 6366010
- Nikkaji
- J333.594A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
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Compound notes
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