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
   -1.2688    1.1172    1.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0315    0.6686    1.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452    0.2849   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0585    1.0918   -0.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579    2.4902   -0.5008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1861   -1.0763   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579   -1.4334   -1.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4671   -1.9949    0.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596   -3.2946   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3904    1.3746    2.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730    2.0453    0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0580    0.3929    1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3548    0.7303   -1.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6799    2.8544    0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3004    3.1881   -1.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    2.5446   -0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7140   -4.0743    0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -3.3339   -0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2079   -3.5756   -0.7815 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