Basic information
- CAS
25659-22-7- Standard SMILES
CC=CCC(C)=O- InChIKey
YRXUQYBLFBZHNE-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- Hex-4-en-2-one
- IUPAC
- hex-4-en-2-one
Names & synonyms
hex-4-en-2-oneDTXSID80871351RefChem:1086483DTXCID30819021methyl crotyl ketoneSCHEMBL4949635SCHEMBL5605355SCHEMBL20576596SCHEMBL22639083YRXUQYBLFBZHNE-UHFFFAOYSA-N
Database identifiers
- CAS
25659-22-7- PubChem CID
- 33134
- DTXSID
DTXSID80871351
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 82.2
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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