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
   -2.9839    0.3526    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6572    0.1800   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5711    0.0805    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7446   -0.0908   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8028   -0.1390   -1.4732 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9062   -0.1989    0.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866   -0.3628   -0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9954    1.3625    0.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112    0.1728   -0.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0857   -0.3663    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186    0.1393   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    0.1283    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376    0.0742   -1.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9227    0.1140    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4953   -1.4463   -0.0896 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