Monomers

Methyl 2-methoxybut-2-enoate

Identifiers

IUPAC name
methyl (Z)-2-methoxybut-2-enoate
InchI
InChI=1S/C6H10O3/c1-4-5(8-2)6(7)9-3/h4H,1-3H3/b5-4-
InchI Key
XDAOZDBTFSSMBW-PLNGDYQASA-N
SMILES
CO/C(=C\C)/C(=O)OC
Canonical SMILES
CC=C(C(=O)OC)OC
Isomeric SMILES
C/C=C(/C(=O)OC)\OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O3
Heavy Atom Count
9
Molecular Weight
130.143
Exact Molecular Weight
130.063
Valence Electrons
52
Radical Electrons
0
tPSA
35.53
MolLogP
0.7096
H Bond Acceptors
3
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

 19 18  0  0  0  0  0  0  0  0999 V2000
   -0.3981    2.6090    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524    1.5188    0.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563    0.2105    0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9027   -0.3406    0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9908   -1.7548   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4975   -0.5414    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284   -1.7420    0.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6722    0.0492    0.9044 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9360   -0.5608    0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6565    2.4705   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0366    2.7133   -0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4545    3.5390    0.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7915    0.2685    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0326   -1.9588   -0.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -1.8563   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7148   -2.4785    0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4134   -0.4358    1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456   -0.0653    0.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668   -1.6445    0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  5 15  1  0
  5 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers