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
   -2.0554   -1.0557    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4528    0.2717    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478    0.2838   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    0.4400    0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427    0.4475    0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514    0.5959    0.9841 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6434    0.2887   -1.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146   -1.7347    0.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536   -1.5817   -0.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0754   -0.9544   -0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882    1.0566   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    0.4736    1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    0.1507   -1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.5646    1.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4695    0.7536   -1.4805 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