Monomers

cis-Pent-2-enoic acid

Identifiers

IUPAC name
(Z)-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-ARJAWSKDSA-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
    1.8745   -0.8829    0.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.9307   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1804    0.1439   -1.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899    1.0561   -1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    1.2434   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395    2.2384   -0.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7354    0.4756    1.1241 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8956   -1.5593    1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285    0.1575    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720   -1.1743   -0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2003   -0.9070    0.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2548   -1.9411   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    0.1518   -2.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7609    1.8096   -1.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6150    0.1190    1.4581 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