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    0.2306   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    0.4119   -0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288   -0.8370    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587   -1.9389    0.0723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5380   -0.7984    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823    0.3524    0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990    1.1153   -0.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890    0.2426   -1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194   -0.7270   -0.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622    0.8298   -1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789    1.1461    0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727   -1.7127    0.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469    1.2425    0.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2404    0.4426    0.5169 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