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
    8.4400   -1.1349    2.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0835   -0.8197    0.7317 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7854   -0.5171    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8153   -0.5130    1.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5029   -0.2069    1.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1049    0.1074   -0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1023    0.0975   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4099   -0.2072   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7856    0.4168   -0.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697   -0.6586   -0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -1.8239   -0.8844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5786   -0.4082   -1.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0672    0.8624   -1.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734    1.0573   -1.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773    0.0043   -1.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374   -1.2928   -1.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2257   -1.4921   -1.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3922    0.1226   -2.1723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    1.2437   -2.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4956    1.9742   -0.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2359    1.3010    0.0214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9741    0.2008    0.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8765   -0.3885    0.6043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9383   -0.3584    1.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6017   -1.4277    2.3904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2339    0.3421    1.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5074   -1.4319    2.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7704   -1.9204    2.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3021   -0.1879    2.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0941   -0.7561    2.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7781   -0.2157    1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    0.3479   -2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1654   -0.2089   -1.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595    1.7078   -0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6653    2.0693   -1.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2001   -2.1027   -2.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1709   -2.5038   -1.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1742    0.9288   -2.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8268    1.9852   -2.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6225    2.4322   -0.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1183    2.8689   -1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6515   -1.8952    2.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2875   -1.8470    3.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0679   -0.3629    2.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4838    0.9808    1.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1802    1.0114    2.7791 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