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
   -2.8583    0.1124   -0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3920    0.2055   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643   -0.6471    0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -0.5278    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -1.3810    0.8358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648    0.5097   -0.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8788    0.5262   -0.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3041   -0.6433   -0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652   -0.3028    1.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3671    1.0780   -0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9858    1.0250   -0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9658   -1.4632    0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2594    0.1597    0.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1557   -0.1984   -1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    1.5470   -0.7624 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