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
   -1.3279    0.2315   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5832   -0.2258    0.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688   -0.5531    1.8213 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8757   -0.2925    0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5253    0.0442   -0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0823   -0.4837   -1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3949    0.3373   -0.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    1.2017   -0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4454   -0.6238    1.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908   -0.0082   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9549    0.3726   -1.2660 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