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
   -2.3893    0.0151    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2587    0.3753   -0.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029    0.4736   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0133   -0.3092   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614   -0.2305    0.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    0.5947    1.3933 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3508   -1.0422    0.1665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8569    0.9407    0.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1071   -0.6793   -0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9218   -0.5055    1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2441   -0.4294   -1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002    1.3727   -1.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1129    1.1808    0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -1.0209   -1.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103   -0.9761    0.7349 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