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
   -2.0955    0.6243    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465   -0.3007   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2794    0.1236    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868    1.1194    0.8579 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4895   -0.6175   -0.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -0.2128    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0548    0.0710    0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2385    1.4374   -0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    1.0194    1.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2407   -1.3119    0.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063   -0.3824   -1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -1.4786   -0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923    0.6429    0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5695   -0.7342   -0.1594 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