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
    2.9510    0.0595    0.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6251   -0.3554    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5268    0.2969    0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7328   -0.1197   -0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8097   -1.1212   -0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9292    0.5376    0.1656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1560    0.1114   -0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2583   -0.6608    1.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717    1.0849    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402    0.0751   -0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6503   -1.2235   -0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5780    1.1475    1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6987   -0.5936    0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8300    1.0146   -0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0451   -0.2532   -1.4361 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