3-Butyl-4-hydroxyoxolan-2-one
Basic information
- CAS
87683-10-1- Standard SMILES
CCCCC1C(=O)OCC1O- InChIKey
DQUVZYXJTGVWFI-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- 3-Butyl-4-hydroxyoxolan-2-one
- IUPAC
- 3-butyl-4-hydroxyoxolan-2-one
Names & synonyms
3-Butyl-4-hydroxyoxolan-2-one87683-10-1DTXSID60563782
Database identifiers
- CAS
87683-10-1- PubChem CID
- 14765484
- DTXSID
DTXSID60563782
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
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Compound notes
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