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
   -2.1901    0.0430   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9711    0.3513    0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2766   -0.1608   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.7847   -1.2686 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299    0.0787    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6957   -0.3393    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7076   -0.8575    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.1868   -1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9490    0.8627   -0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8243    1.4540    0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -0.0567    1.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447    0.6210    1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185   -0.8784   -0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.1465    0.5888 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