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
    3.1485   -0.6148    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9603    0.0996   -0.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7647   -0.4333    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814   -1.5069    0.8344 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    0.1961   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6270    1.3488   -0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6671   -0.3991    0.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9156    0.2417    0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9866   -0.3197   -0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946   -1.6937   -0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727   -0.4556    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6096    1.7712   -0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2469    1.8386   -1.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9374    1.2300    0.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1548    0.4461   -0.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7260   -0.4224    0.7124 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