2-Oxopentanal
Basic information
- CAS
7332-93-6- Standard SMILES
CCCC(=O)C=O- InChIKey
GDTHVMAIBQVUMV-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 2-Oxopentanal
- IUPAC
- 2-oxopentanal
- English name
- 2-oxoPentanal
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
2-Oxopentanal7332-93-6RefChem:1064057PropylglyoxalValeraldehyde, 2-oxo-2-oxo-pentanal2-Ketopentanalalpha-KetopentanalPentanal, 2-oxo-BRN 1743398pentoneal.alpha.-Ketopentanal
Show more names
starbld0008037SCHEMBL224504-01-00-03658 (Beilstein Handbook Reference)SCHEMBL1564465SCHEMBL27549847SCHEMBL27603106DTXSID00223550GDTHVMAIBQVUMV-UHFFFAOYSA-N
Database identifiers
- CAS
7332-93-6- PubChem CID
- 123249
- DTXSID
DTXSID00223550
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 76.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 112 °C · 112°C (estimate)
- Density
- 0.9971 · 0.9971 (rough estimate)
- refractive index
- 1.4043 · 1.4043 (estimate)
- LogP
- 0.605 · 0.605 (est)
Chemistry & industry
Applications
Uses2-Oxopentanal is a starting material to prepare enantiomerically pure β2-amino acids.
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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