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
    0.1266    1.9693    1.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362    1.0879    1.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666    0.0492    0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9396   -0.6898    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024   -1.8314   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244   -0.2588   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3481   -1.2086   -1.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4642    0.5425   -0.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246    0.2098   -0.9145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4515    2.5379    0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0087    1.4287    1.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    2.7321    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278   -0.4463    0.8125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0381   -2.2745   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8727   -1.5471   -1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3152   -2.6161   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180   -0.2564   -1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1782   -0.5603   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969    1.1321   -1.0389 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