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
   -2.0268   -0.0394    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    0.2149   -0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2844    0.3796   -0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    1.2860    0.6994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4373   -0.4357   -0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5703   -0.2094    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474    0.3718    1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    0.3975    0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299   -1.1446    0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852    1.2069   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0696   -0.5221   -1.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -1.2362   -1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -0.8414   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355    0.5720    0.8927 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