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
   -2.8071    0.2922   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3244    0.3161   -0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168   -0.6896    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8252   -0.6869    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -1.6659    0.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561    0.4110   -0.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8759    0.4088   -0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347   -0.1045   -1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1665   -0.3972    0.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1977    1.3040    0.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8497    1.1815   -0.5713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1176   -1.5339    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1497    0.0809   -1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2861   -0.3412    0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    1.4249   -0.1525 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