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
   -2.4961    0.0108   -0.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534   -0.6030   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0563    0.1413   -0.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2618   -0.4308   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758   -1.6969   -0.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656    0.4212   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4714    0.9763    0.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2901   -0.5992   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6731    0.2515   -1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172   -1.6774   -0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1575    1.2086   -0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6961    0.9200    0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2806    1.2438   -1.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351   -0.1662   -0.6805 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