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
   -1.4820    2.0111    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144    0.7302    0.6291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764   -0.1267    0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7913   -1.2367   -0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2223   -1.5628   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0278    0.2475    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    1.3188    0.6844 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -0.6085   -0.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514   -0.3211   -0.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910    1.9909   -0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3166    2.5088    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5437    2.5688    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818   -1.9059   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7816   -0.5852   -0.5923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4513   -2.1843   -1.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338   -2.1223    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453    0.7703   -0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7352   -0.6737    0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7992   -0.8193   -1.2760 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