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
   -0.9760   -1.9126    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1434   -0.6341   -0.5949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371    0.4326   -0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070    1.4499    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5798    1.4681    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272    0.4330   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6408    1.4046    0.4475 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7747   -0.6119   -0.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069   -0.5492   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2875   -1.8489    1.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965   -2.1745   -0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681   -2.6890   -0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623    2.2794    0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9035    2.4883    0.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9424    1.2923    1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0140    0.6664   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -0.4193   -1.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5162    0.3633    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355   -1.4385   -0.0130 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