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
   -1.4729    1.7611   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2005    0.4160   -0.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437   -0.1670   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7184   -0.0449   -1.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446    0.6880   -2.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -0.9047    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -1.4640    0.6845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1114   -1.0516    1.9173 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4370   -1.7759    3.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5987    1.8535   -0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1445    2.0285    0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1161    2.4440   -0.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6959   -0.5031   -1.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    0.1112   -3.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573    0.7817   -2.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874    1.6833   -2.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431   -1.3371    3.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -2.8575    2.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2318   -1.6615    3.8685 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