Pentyl pyruvate
Basic information
- CAS
10484-39-6- Standard SMILES
CCCCCOC(=O)C(C)=O- InChIKey
LRMNRSQAFOMTLU-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- Pentyl pyruvate
- IUPAC
- pentyl 2-oxopropanoate
Names & synonyms
Pentyl pyruvate10484-39-6DTXSID00335223RefChem:368283DTXCID50286312LRMNRSQAFOMTLU-UHFFFAOYSA-Npentyl 2-oxopropanoateSCHEMBL1083216
Database identifiers
- CAS
10484-39-6- PubChem CID
- 523903
- DTXSID
DTXSID00335223- Nikkaji
- J132.335K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
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Related reactions
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Compound notes
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