5,5-Dimethyl-4-(prop-2-en-1-yl)cyclohexane-1,3-dione
Basic information
- CAS
106185-61-9- Standard SMILES
C=CCC1C(=O)CC(=O)CC1(C)C- InChIKey
MIJOFBLTKSBIFR-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 5,5-Dimethyl-4-(prop-2-en-1-yl)cyclohexane-1,3-dione
- IUPAC
- 5,5-dimethyl-4-prop-2-enylcyclohexane-1,3-dione
Names & synonyms
106185-61-9DTXSID605450635,5-Dimethyl-4-(prop-2-en-1-yl)cyclohexane-1,3-dioneRefChem:298403DTXCID70495848SCHEMBL5380269
Database identifiers
- CAS
106185-61-9- PubChem CID
- 13614744
- DTXSID
DTXSID60545063
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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