6,6-Dimethyl-3,4-undecadiene-2,10-dione
Basic information
- CAS
52588-78-0- Standard SMILES
CC(=O)C=C=CC(C)(C)CCCC(C)=O- InChIKey
ZJUAUNQHNSLJQO-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 6,6-Dimethyl-3,4-undecadiene-2,10-dione
- IUPAC
- 6,6-dimethylundeca-3,4-diene-2,10-dione
- English name
- 6,6-Dimethyl-3,4-undecadiene-2,10-dione
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
6,6-DIMETHYL-3,4-UNDECADIENE-2,10-DIONE52588-78-0DTXSID40200562RefChem:103764DTXCID701230536,6-dimethylundeca-3,4-diene-2,10-dione3,4-Undecadiene-2,10-dione, 6,6-dimethyl-ZJUAUNQHNSLJQO-UHFFFAOYSA-NDB-3069156,6-Dimethyl-3,4-undecadiene-2,10-dione #
Database identifiers
- CAS
52588-78-0- PubChem CID
- 40450
- DTXSID
DTXSID40200562- Nikkaji
- J114.577K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
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Compound notes
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