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
    1.2341    0.2678    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160   -0.8464    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5814   -2.0305    0.5643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9584   -0.5953   -0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2760    0.6327   -0.7442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3424    0.9598   -0.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973    0.8597    1.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.1753    0.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6432   -1.3965   -0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2272    0.8475   -1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6265    1.4766   -0.5771 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