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
   -1.5869    1.1901   -0.6736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9225    0.3045    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600   -0.9530   -0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7546   -1.3783   -0.1908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9267   -0.7315    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0757   -1.2964    0.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293    0.4928    0.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1351    1.0394   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4368    2.2533   -0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568    0.9790   -0.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    0.8694    0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7035    0.0464    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2353   -1.6148   -0.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550   -2.3990   -0.6669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6601    1.1981    0.7555 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