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
   -1.4716   -2.0512   -0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548   -0.7370   -0.2443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4863    0.0975    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964    1.4019   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    1.9724   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522   -0.4148    0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071   -1.6430    0.3433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8880    0.4552    0.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993    0.0187    0.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5214   -2.4327   -0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9607   -2.6959    0.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9623   -2.1354   -1.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1194    2.0750    0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6760    2.0364    0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695    2.9959   -0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5751    1.2887   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3549   -1.0460    0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5190    0.2144    1.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710    0.5999    0.1484 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