3-Buten-2-one, 3-ethyl-
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Basic information
- CAS
4359-77-7- Standard SMILES
C=C(CC)C(C)=O- InChIKey
UOTSYAILGSUTAC-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 3-Buten-2-one, 3-ethyl-
- IUPAC
- 3-methylidenepentan-2-one
- English name
- 3-Ethyl-3-butene-2-one
- Molecular formula
- C6H10O
- Molecular weight
- 98.14
Names & synonyms
3-Buten-2-one, 3-ethyl-3-Methylene-2-pentanone2-Pentanone, 3-methylene-DTXSID40336895RefChem:277857DTXCID30287983UOTSYAILGSUTAC-UHFFFAOYSA-N3-Ethyl-3-butene-2-one4359-77-73-Methylenepentan-2-one3-methylidenepentan-2-oneAethylmethylacrolein
Show more names
3-Ethyl-3-buten-2-one #SCHEMBL3332190SCHEMBL17581062
Database identifiers
- CAS
4359-77-7- PubChem CID
- 537121
- DTXSID
DTXSID40336895- Nikkaji
- J113.168K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- 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
- 92.4
Physicochemical properties
- Boiling point
- 132.5 · 132.5-133.5 °C(Press: 752 Torr)
- Density
- 0.91915 g/cm3 · 0.91915 g/cm3
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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