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
   -2.2971    0.5599   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2941   -0.5399   -0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1032   -0.0669   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9580   -0.5436    0.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296   -0.0881    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0874   -0.6027    1.2788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8744    0.9089   -0.3728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8524    0.4000    0.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0656    0.5976   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7467    1.5182   -0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4703   -1.3340    0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5007   -1.0159   -1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4027    0.7166   -1.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -1.3316    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8732    0.8214   -0.5902 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