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
   -2.9421    0.5151    0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6883   -0.2035    0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296    0.4092    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7239   -0.3242   -0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7128   -1.5441   -0.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522    0.3039   -0.0287 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1839   -0.2987   -0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7211   -0.1215    0.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050    0.9502   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838    1.3945    1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7023   -1.2455   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041    1.4577    0.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7990   -0.4573    0.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7748    0.4223   -0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297   -1.2581   -0.8168 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