Monomers

Methyl 2-methoxyacrylate

Identifiers

IUPAC name
methyl 2-methoxyprop-2-enoate
InchI
InChI=1S/C5H8O3/c1-4(7-2)5(6)8-3/h1H2,2-3H3
InchI Key
BTTXESIFAHCXMK-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)OC
Canonical SMILES
COC(=C)C(=O)OC
Isomeric SMILES
COC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H8O3
Heavy Atom Count
8
Molecular Weight
116.116
Exact Molecular Weight
116.0473
Valence Electrons
46
Radical Electrons
0
tPSA
35.53
MolLogP
0.3195
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

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.9308    0.4857    0.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7796   -0.1408    0.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5614    0.4885   -0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813    1.7031    0.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -0.2200   -0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4971   -1.4760   -0.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    0.4344   -0.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608    0.2536    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -0.3130    0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186    0.8869    1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546    1.2501   -0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358   -1.9872   -0.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3399   -2.0028   -1.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6957    0.7965    0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3222    0.6497    1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9604   -0.8089    0.3339 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  6 13  1  0
  8 14  1  0
  8 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers