Basic information
- Standard SMILES
CCCC1(C)CCC(=O)OC1- InChIKey
OUBODNIFZSFXPQ-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- gamma-methyl-gamma-n-propyl-delta-Valerolactone
- IUPAC
- 5-methyl-5-propyloxan-2-one
Names & synonyms
SCHEMBL11355916OUBODNIFZSFXPQ-UHFFFAOYSA-Ngamma-methyl-gamma-n- propyl-delta-Valerolactone
Database identifiers
- PubChem CID
- 20570604
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Related reactions
1 records
Compound notes
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