Basic information
- CAS
68987-96-2- Standard SMILES
CCCCC(=O)OC[C@@H](O)CO- InChIKey
WGCRBZNYMUSMEV-ZETCQYMHSA-N- Molecular formula
- C8H16O4
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.10485899
Names & identifiers
- Preferred name
- [(2S)-2,3-dihydroxypropyl] pentanoate
- IUPAC
- [(2S)-2,3-dihydroxypropyl] pentanoate
Names & synonyms
WGCRBZNYMUSMEV-ZETCQYMHSA-NNS00126290
Database identifiers
- CAS
68987-96-2- PubChem CID
- 3085397
- Nikkaji
- J84.310E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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