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
    2.1303    0.0960   -0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    0.6286    0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -0.5220    0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -0.7799    0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9996    0.0599   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336    1.1525   -0.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3512   -0.3115   -0.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109    0.1591   -1.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3142   -0.9809   -0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894    0.6227   -0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494    1.4365   -0.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5780    1.0651    1.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8119   -1.3039    1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -1.7203    1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0791    0.3982   -0.3346 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