Basic information
- Standard SMILES
CC(C)C(=O)C(C)(C)O- InChIKey
XWJXXDDXZUVWBY-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 2-Hydroxy-2,4-dimethyl-3-pentanone
- IUPAC
- 2-hydroxy-2,4-dimethylpentan-3-one
- English name
- 2-Hydroxy-2,4-dimethyl-3-pentanone
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
2-Hydroxy-2,4-dimethyl-3-pentanone3212-67-7DTXSID503382293-Pentanone, 2-hydroxy-2,4-dimethyl-RefChem:261593DTXCID80289316XWJXXDDXZUVWBY-UHFFFAOYSA-N2-hydroxy-2,4-dimethylpentan-3-one3-Pentanone,2-hydroxy-2,4-dimethyl-SCHEMBL9591982-Hydroxy-2,4-dimethy-3-pentanoneDB-182241
Database identifiers
- CAS
3212-67-7- PubChem CID
- 547735
- DTXSID
DTXSID50338229- Nikkaji
- J581.570C
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 114
Related reactions
8 records
Linked notes
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