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
    2.0078   -0.5710    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229   -0.5512    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    0.7806   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8036    1.6720   -0.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4325    1.0169   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2910    0.0595    0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4404   -0.1252    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3065    0.0861   -0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372   -1.5657   -0.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500   -0.7710    1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.3460   -0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8259    1.9929   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3460    0.2303    0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8874   -0.9083    0.3909 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