Basic information
- Standard SMILES
CCC(CO)C(C)=O- InChIKey
VIRLRDWLVKMFAA-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-3-oxobutanol
- IUPAC
- 3-(hydroxymethyl)pentan-2-one
Names & synonyms
2-ethyl-3-oxobutanolNSC11266399115-96-53-Hydroxymethyl-pentan-2-oneSCHEMBL3095460VIRLRDWLVKMFAA-UHFFFAOYSA-N2-Pentanone, 3-(hydroxymethyl)-NSC-112663DB-270636
Database identifiers
- PubChem CID
- 270299
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.6
Related reactions
5 records
Compound notes
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