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
   -1.3509   -0.3205    0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4559    0.8058   -0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031    1.9434   -0.1558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519    0.6265   -0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242   -0.5528   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8276   -1.0467    0.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2971    0.0404    0.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6475   -0.8161   -0.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5679    1.4716   -0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9596   -1.4439    0.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5785   -0.7076   -0.3428 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