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
   -2.1936    0.3183   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046   -0.5580    0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701    0.1836    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489    1.3880   -0.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550   -0.4507    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6837    0.2241    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3416    1.0793    0.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0940   -0.2326   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9118    0.9076   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0185   -1.3831   -0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0743   -0.9850    1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841   -1.4903    0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6716    1.2584   -0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251   -0.2595    0.4029 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