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
   -1.7120    0.1814    0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3895   -0.4450    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -1.6331    0.5431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7862    0.3320   -0.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -0.1702   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8523    0.6018   -0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    0.9950    0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5453   -0.4979    0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    1.3713   -0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2329   -1.1840    0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8330    0.4487   -0.4750 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