Monomers

Methyl vinyl ketone

Identifiers

IUPAC name
but-3-en-2-one
InchI
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InchI Key
FUSUHKVFWTUUBE-UHFFFAOYSA-N
SMILES
CC(=O)C=C
Canonical SMILES
CC(=O)C=C
Isomeric SMILES
CC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O
Heavy Atom Count
5
Molecular Weight
70.091
Exact Molecular Weight
70.0419
Valence Electrons
28
Radical Electrons
0
tPSA
17.07
MolLogP
0.7614
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.2782   -0.3988    0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    0.6985   -0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3256    1.6170   -0.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8267    0.6349   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545   -0.3509   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143   -1.3857   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567   -0.2352    0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7429   -0.4503    1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    1.4214   -1.0580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6163   -0.3788   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -1.1721    0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  1  6  1  0
  1  7  1  0
  1  8  1  0
  4  9  1  0
  5 10  1  0
  5 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers