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
   -2.0953    1.5303    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.8481    0.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1777   -0.0042    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602   -1.3132    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691   -1.9828    0.7556 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0308    0.5766   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    1.8070   -0.2020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9975   -0.2283   -0.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1647    0.3715   -1.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7020    2.1275    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7954    0.8274   -0.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6891    2.2425   -0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4113   -1.9195   -0.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7743   -2.9355    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5344   -2.1918    1.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807   -1.3414    0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180    1.2201   -0.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201    0.7855   -2.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9484   -0.4198   -1.3340 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