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
    1.5829    0.4847    0.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2019   -0.6721    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2294   -0.6577   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6373   -1.5898   -1.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1698    0.3519    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    0.2917   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    0.4880    0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1604    0.4589    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008    1.4142    0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924   -0.5904   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480   -1.6562    0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8318    1.1530    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7517   -0.5305   -0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1445    1.0545    0.0153 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