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
    2.6892    0.6327    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650    0.9192   -0.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2201    0.2087   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1734   -1.0748   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347   -1.9587   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0319    0.9433    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0092    2.1805    0.2541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2451    0.2901    0.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930    0.9385    0.2395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1868   -0.0228   -0.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2546    1.6109    0.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    0.2204    1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8037   -1.5606   -0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -3.0372   -0.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086   -1.8809    0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8223   -1.7647   -1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922    1.9547   -0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806    1.0560    1.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593    0.3446   -0.3148 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