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
   -1.8079   -0.0587   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0134    0.7882    0.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4059    0.7220    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    1.6990   -0.1065 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820   -0.5558    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3359   -0.7715    0.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2180   -0.3256   -1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7367    0.4261   -0.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0299   -1.0470    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249    1.8522    0.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0752    0.3921    1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5477   -1.4118    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849    0.0179   -0.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -1.7273    0.2426 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