Basic information
- CAS
25659-22-7- Standard SMILES
C/C=C/CC(C)=O- InChIKey
YRXUQYBLFBZHNE-ONEGZZNKSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 4-Hexen-2-one
- IUPAC
- (E)-hex-4-en-2-one
Names & synonyms
4-HEXEN-2-ONE25659-22-7RefChem:1070711Methylallyl acetone2-Hexen-5-oneAcetone methylallyl(E)-hex-4-en-2-one2-butanon-4-eneAcetone, methylallyl(4E)-4-Hexen-2-one #SCHEMBL2619425SCHEMBL4949630
Show more names
SCHEMBL22639082YRXUQYBLFBZHNE-ONEGZZNKSA-NInChI=1/C6H10O/c1-3-4-5-6(2)7/h3-4H,5H2,1-2H3/b4-3
Database identifiers
- CAS
25659-22-7- PubChem CID
- 5326164
- Nikkaji
- J49.438K、J620.910F
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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