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
   -2.2779    0.3612   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2441    0.1943    0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1220    0.2759    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9617   -0.7387    0.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988   -0.6507   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961   -1.6064   -0.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    0.4929   -1.0353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -0.6261   -0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8781    0.9507   -1.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453    0.8925   -0.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.7901    1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582    1.0219    1.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4093    1.1852   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6703   -1.6383    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7191    0.6757   -1.0375 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