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
   -2.0239    0.2788   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    0.4746    0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385    0.2282    0.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8027   -0.2360   -0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2354   -0.4266   -1.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2429   -0.4826   -0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9696   -0.7923   -0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0979    0.5302   -0.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6298    0.9598   -1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7733    0.8205    1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663    0.3918    1.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7987   -0.3908   -1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6963    0.1968    0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3684   -1.5522    0.1528 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