Monomers

Pent-3-en-2-one

Identifiers

IUPAC name
pent-3-en-2-one
InchI
InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
InchI Key
LABTWGUMFABVFG-UHFFFAOYSA-N
SMILES
CC=CC(=O)C
Canonical SMILES
CC=CC(=O)C
Isomeric SMILES
CC=CC(=O)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
   -2.5040    0.2238   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909   -0.4582   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0768    0.1745    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156   -0.4780   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2705   -1.6626   -0.4875 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4949    0.1931    0.3069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -0.5312    0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7323    0.7315   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3862    0.9664    0.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1360   -1.4768   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1145    1.1828    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7136    0.1386    1.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3418   -0.2567   -0.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882    1.2528   -0.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers