Monomers

2-Pentenoic acid

Identifiers

IUPAC name
(E)-pent-2-enoic acid
InchI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InchI Key
YIYBQIKDCADOSF-ONEGZZNKSA-N
SMILES
CC/C=C/C(=O)O
Canonical SMILES
CCC=CC(=O)O
Isomeric SMILES
CC/C=C/C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O2
Heavy Atom Count
7
Molecular Weight
100.117
Exact Molecular Weight
100.0524
Valence Electrons
40
Radical Electrons
0
tPSA
37.3
MolLogP
1.0372
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.3300    0.4646   -0.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779   -0.6342    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0783   -0.0279    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326   -0.3546   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795    0.2457    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190    1.0732    1.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674   -0.0865   -0.2874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966    0.0224   -1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764    0.9744    0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    1.2189   -0.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854   -1.1973    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1732   -1.3480   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0753    0.6949    1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0074   -1.0691   -0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3121    0.0236    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers