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
    2.4795    0.1140    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1613    0.1228   -0.5268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -0.0075    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2474   -0.0013   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3361    0.1287   -1.7177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4658   -0.1502    0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838   -0.4847   -0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4355   -0.3353    1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9193    1.1501    0.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0887    0.2358   -1.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330   -0.1230    1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4268    0.4080    1.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3797    0.1933   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925   -1.2508    0.5128 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