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
   -2.2590    0.6623    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8024    0.4404    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2471   -0.7059    0.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675   -0.9649    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -2.0762    0.6174 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1668    0.0188   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083    0.1784    1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5384    1.7180    0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8235    0.1989   -0.7012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111    1.2465   -0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8963   -1.4893    0.7445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -0.5199   -0.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7638    0.4481    0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416    0.8448   -0.7741 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