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
   -1.8205    0.2730   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6872   -0.5416    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -1.0568   -0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1242   -2.0416   -1.1190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473   -0.4978   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9909    0.5121    0.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672    0.1864    0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5533    1.3503   -0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370   -0.0981   -0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411    0.0923    1.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1607   -1.4058    1.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964   -0.9331   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9830    0.9082   -0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284    1.0112    0.8345 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