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
   -1.3006    0.8031    0.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -0.5618   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133   -1.0714   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2115   -2.2937   -0.7943 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150   -0.4831   -0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8612    0.6948    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9501    1.0264    1.4603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0353    1.5692   -0.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4411    0.8924    0.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -0.5813   -1.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -1.2927    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881   -1.1117   -0.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    1.0009    0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1406    1.4089    0.5154 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