Basic information
- Standard SMILES
CCC(C)(O)C(C)(C)CO- InChIKey
UGRRTZQNTWNFSI-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 2,2,3-Trimethyl-1,3-pentanediol
- IUPAC
- 2,2,3-trimethylpentane-1,3-diol
Names & synonyms
SCHEMBL672974UGRRTZQNTWNFSI-UHFFFAOYSA-N2,2,3-trimethyl-1,3-pentanediol
Database identifiers
- PubChem CID
- 21908643
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Related reactions
3 records
Compound notes
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