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
   -2.2781    0.5670   -0.4631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2580    0.0695    0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1246    0.2263    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229   -0.8009   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.6777   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0085   -1.6829   -0.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238    0.5509   -1.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1740    0.9074    0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6010   -0.2505   -1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509    1.3754   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4499   -1.0300    0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316    0.5959    1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4150    1.2443   -0.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -1.7808    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8243    0.6861   -0.8054 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