Basic information
- Standard SMILES
CCC(C)C(O)O- InChIKey
BIWVHGWGBMHTTP-UHFFFAOYSA-N- Molecular formula
- C5H12O2
- Average molar mass
- 104.15 g/mol
Names & identifiers
- Preferred name
- 2-Methylbutanediol
- IUPAC
- 2-methylbutane-1,1-diol
Names & synonyms
2-methylbutanediolSCHEMBL111180SCHEMBL624913SCHEMBL8773907SCHEMBL15226158SCHEMBL16637278SCHEMBL27675719BIWVHGWGBMHTTP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19979196
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 43.3
Related reactions
2 records
Compound notes
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