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
   -2.3138    0.5138    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3774   -0.5903   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -0.0175   -0.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058   -0.4185    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    0.1169    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4566    0.9669   -0.8896 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4259   -0.3132    0.7051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0159    0.7067   -0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7204    1.4447    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8216    0.1443    1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7545   -1.0774   -0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -1.3671    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0035    0.7181   -1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8995   -1.1661    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2025    0.3389    0.8134 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