Monomers

4-[2-(Methacryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester

Identifiers

IUPAC name
(4-methoxyphenyl) 4-[2-(2-methylprop-2-enoyloxy)ethoxy]benzoate
InchI
InChI=1S/C20H20O6/c1-14(2)19(21)25-13-12-24-17-6-4-15(5-7-17)20(22)26-18-10-8-16(23-3)9-11-18/h4-11H,1,12-13H2,2-3H3
InchI Key
OIRKPCZRJHIGSG-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)OC(=O)c1ccc(cc1)OCCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
Isomeric SMILES
CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OC
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C20H20O6
Heavy Atom Count
26
Molecular Weight
356.374
Exact Molecular Weight
356.126
Valence Electrons
136
Radical Electrons
0
tPSA
71.06
MolLogP
3.4125
H Bond Acceptors
6
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 46 47  0  0  0  0  0  0  0  0999 V2000
   -8.6745   -1.3157   -3.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5871   -2.1670   -3.3753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3207   -1.9380   -2.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2782   -2.7975   -3.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0120   -2.5744   -2.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8042   -1.4790   -1.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8472   -0.5929   -1.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0960   -0.8321   -2.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -1.2017   -1.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0131   -2.0138   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7102   -3.0092    0.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -1.7687    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0159   -0.6277   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2468   -0.3611    0.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041   -1.2094    1.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -2.3345    1.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512   -2.6030    1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531   -0.9175    2.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7444    0.2688    1.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0527    0.3821    2.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7381    1.5804    2.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2121    2.8229    2.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0715    2.8479    2.8791 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8574    4.0892    1.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2296    5.1849    2.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1850    4.0322    1.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6027   -1.8612   -3.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7231   -0.9681   -2.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5533   -0.4456   -3.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4186   -3.6695   -3.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2291   -3.2663   -2.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6538    0.2791   -0.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9101   -0.1272   -1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4135    0.0359   -0.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    0.5313    0.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -3.0093    2.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7118   -3.4930    1.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0354    0.0743    0.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1318    1.1617    1.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437   -0.4364    2.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9083    0.3228    3.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555    6.1526    2.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2645    5.1895    2.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9176    4.0044    2.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3990    4.9488    0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2892    3.1110    0.6969 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  3
 24 26  1  0
  8  3  1  0
 17 12  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  0
  7 32  1  0
  8 33  1  0
 13 34  1  0
 14 35  1  0
 16 36  1  0
 17 37  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 25 42  1  0
 25 43  1  0
 26 44  1  0
 26 45  1  0
 26 46  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers