Monomers

Ethyl vinyl ketone

Identifiers

IUPAC name
pent-1-en-3-one
InchI
InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
InchI Key
JLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILES
CCC(=O)C=C
Canonical SMILES
CCC(=O)C=C
Isomeric SMILES
CCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O
Heavy Atom Count
6
Molecular Weight
84.118
Exact Molecular Weight
84.0575
Valence Electrons
34
Radical Electrons
0
tPSA
17.07
MolLogP
1.1515
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

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.7356   -0.5335   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7651   -0.0298    0.7506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313    0.9621    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495    2.1382   -0.0262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775    0.7055   -0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0540   -0.4626   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2323    0.3274   -0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -1.1131    0.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -1.1124   -1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    0.4253    1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2298   -0.8859    1.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    1.5000   -0.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874   -0.6382   -0.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5024   -1.2830    0.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  5 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers