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
    2.1974    0.7483    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4110   -0.5416   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176   -0.2394    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0106   -0.4280   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3811   -0.1358   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3243   -0.3363   -0.8873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7280    0.3714    1.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2630    0.5998    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    1.3231    0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    1.3658   -0.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954   -0.9504   -1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9033   -1.2511    0.6581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1857    0.1537    1.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8034   -0.8196   -1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    0.1401    1.5166 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