Basic information
- CAS
39245-06-2- Standard SMILES
CC(C)(C)C(=O)C=CO- InChIKey
WIAGNCOGJRYSJF-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 1-Hydroxy-4,4-dimethylpent-1-en-3-one
- IUPAC
- 1-hydroxy-4,4-dimethylpent-1-en-3-one
Names & synonyms
1-Hydroxy-4,4-dimethylpent-1-en-3-one39245-06-2SCHEMBL9859974SCHEMBL14781067SCHEMBL26848066DTXSID30654474WIAGNCOGJRYSJF-UHFFFAOYSA-N4,4-dimethyl-1-hydroxy-1-penten-3-one
Database identifiers
- CAS
39245-06-2- PubChem CID
- 40507364
- DTXSID
DTXSID30654474
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 128
Related reactions
3 records
Compound notes
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