Basic information
- CAS
36854-53-2- Standard SMILES
CCC(C)=C=O- InChIKey
MCJYFCRORMMYBR-UHFFFAOYSA-N- Molecular formula
- C5H8O
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.05751487
Names & identifiers
- Preferred name
- 2-Methylbut-1-en-1-one
- IUPAC
- 2-methylbut-1-en-1-one
Names & synonyms
2-methylbut-1-en-1-one36854-53-2DTXSID30349116RefChem:1063794DTXCID503001881-buten-1-one, 2-methyl-2-Methyl-but-1-en-1-onemethyl ethyl keteneSCHEMBL627685SCHEMBL4836613SCHEMBL7054552SCHEMBL11830557
Show more names
InChI=1/C5H8O/c1-3-5(2)4-6/h3H2,1-2H
Database identifiers
- CAS
36854-53-2- PubChem CID
- 643142
- DTXSID
DTXSID30349116- Nikkaji
- J974.076G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 77.9
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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