Monomers

cis-Pent-2-enoic acid

Identifiers

IUPAC name
(Z)-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-ARJAWSKDSA-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
   -2.3871    0.0495    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3053   -0.6461   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0803    0.1421   -0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1078   -0.2434   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053    0.5445   -0.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028    1.6677   -0.9514 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4987    0.0457    0.1137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3027   -0.5640    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0931    0.1571    1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6420    1.0418   -0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495   -1.5820    0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -0.9295   -1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1192    1.1036   -1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1421   -1.1991    0.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669    0.4122   -0.3018 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