Monomers

Methyl crotonate

Identifiers

IUPAC name
methyl (E)-but-2-enoate
InchI
InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+
InchI Key
MCVVUJPXSBQTRZ-ONEGZZNKSA-N
SMILES
C/C=C/C(=O)OC
Canonical SMILES
CC=CC(=O)OC
Isomeric SMILES
C/C=C/C(=O)OC
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
26.3
MolLogP
0.7355
H Bond Acceptors
2
H Bond Donors
0
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
   -2.2076    0.5954    0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8090   -0.8107    0.4439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5682   -1.2390    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4860   -0.2622    0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376    0.9503    0.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8269   -0.6342    0.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8234    0.3410   -0.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3267    0.7214    0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    1.2609    1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9826    1.0386   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5806   -1.5473    0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -2.2945    0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247    0.9696   -1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769   -0.1355   -0.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252    1.0462    0.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers