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
   -1.8392    0.5670    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0946   -0.7348    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3397   -0.4871    0.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391   -0.7419    1.7257 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    0.0574   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    0.2971   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8236    0.8163   -0.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411    1.3643    0.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067    0.4319    0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5373   -1.1723    1.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584   -1.4810   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865    0.2906   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    0.7005   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    0.0921    0.6877 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