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
    1.7351   -0.0606   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2923   -0.4322   -0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228   -1.6409   -0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7742    0.5204    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095    0.1128    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509   -0.8518    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857    0.9352    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.0211   -1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5524    1.5495    0.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037    0.8373    0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2571   -0.9486   -0.1609 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