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
   -1.6612    0.6994    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8079   -0.5059   -0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7277   -1.2123   -0.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6032   -0.8437   -0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -1.5583   -0.6741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770    0.2498    0.4741 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    0.6315    0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6468    1.1750    0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    1.4816   -0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2449    0.4532    1.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7837   -0.8113   -0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -2.0868   -1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600    1.6353    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646   -0.0296    0.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2266    0.7221    2.0255 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