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
   -0.9651    0.4349   -1.9450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007   -0.4969   -0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8110    0.2495    0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231    0.3070    1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216   -0.3450    1.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8503   -1.0918    0.4565 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393   -0.1725    2.4305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204    0.7067   -2.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6773   -0.0662   -2.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3922    1.3624   -1.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7044   -1.1818   -0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0981   -1.0918   -0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7301    0.8318    0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0503    0.9321    2.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -0.3784    2.2803 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