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
   -1.9967    0.4250    0.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5384   -0.0034    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023    0.2283   -0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5439    0.7216   -1.7593 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880   -0.1192   -0.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766   -0.6341    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    1.4956    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4156    0.3646   -0.5120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5364   -0.2084    1.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    0.4816    1.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5261   -1.0935    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9695    0.0414   -1.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980   -0.7943    0.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2190   -0.9053   -0.0943 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