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
   -1.6539    0.8294   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350   -0.6182   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854   -1.4148   -0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5737   -0.9635   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -1.7824   -0.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8993    0.3506    0.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280    0.7540    0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2455    0.8792    0.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386    1.3177   -0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    1.3420   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8198   -1.0066   -0.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9526   -2.4522   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1774    1.7485    0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    0.0788    0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7676    0.9376   -0.7141 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