1-Hydroxy-4,8-dimethylspiro[4.5]dec-7-en-6-one
Basic information
- CAS
63646-91-3- Standard SMILES
CC1=CC(=O)C2(CC1)C(C)CCC2O- InChIKey
CBXHVGLWICNEFM-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
Names & identifiers
- Preferred name
- 1-Hydroxy-4,8-dimethylspiro[4.5]dec-7-en-6-one
- IUPAC
- 4-hydroxy-1,8-dimethylspiro[4.5]dec-8-en-10-one
- English name
- 1-Hydroxy-4,8-dimethylspiro[4.5]dec-7-en-6-one
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
1-Hydroxy-4,8-dimethylspiro[4.5]dec-7-en-6-oneDB-29143363646-91-3Spiro[4.5]dec-7-en-6-one, 1-hydroxy-4,8-dimethyl-
Database identifiers
- CAS
63646-91-3- Nikkaji
- J131.437H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 333.9 · 333.9±41.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 14.16 · 14.16±0.60(Predicted)
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Compound notes
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