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
   -1.7236    0.0910   -0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3421    0.3418    0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177    1.1642    1.2333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7869   -0.3530   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -0.1389    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3673    0.9871    0.0355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737   -0.1200   -1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1638   -0.7724    0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -1.0802   -1.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2579    0.5600    0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8198   -0.6795   -0.3402 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