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
    2.9844   -0.0270   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990   -0.5027   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6039    0.3584   -0.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.1314   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033   -1.3579   -0.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681    0.7130   -0.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2051    0.2487   -0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6071   -0.3530   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4769   -0.3887    0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0617    1.0899   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -1.5454   -0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8398    1.4080   -0.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6545    0.0959    0.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7714    1.0642   -0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204   -0.6720   -0.8324 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