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
   -9.4563   -1.5203    1.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7755   -0.8686   -0.0237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4744   -0.4000    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7232   -0.5237    1.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4226   -0.0268    1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8347    0.5991    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5935    0.7198   -0.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8893    0.2250   -0.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5368    1.0881    0.2705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4994    0.2531   -0.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7874   -0.9121   -0.4826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1025    0.6711   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -0.2027   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2343    0.1851   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5967    1.4556   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5909    2.3170    0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    1.9340    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9281    1.8401    0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9203    0.8940   -0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2510    1.5971   -0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2871    0.7224   -0.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741   -0.4877   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8698   -0.8636    0.9012 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530   -1.3383   -0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8866   -2.4807    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -0.9071   -1.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5449   -1.5075    0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2047   -2.6204    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2839   -1.0282    1.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1579   -1.0092    2.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8303   -0.1278    2.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1397    1.2111   -1.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4715    0.3315   -1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3733   -1.2116   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0215   -0.4879   -0.7317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    3.2963    0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5412    2.6257    0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7401    0.6509   -1.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8373   -0.0375    0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2399    2.5277   -0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4389    1.8842    0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2709   -2.7877    0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6764   -3.1623   -0.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5611   -1.7738   -2.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5286   -0.6606   -1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0261   -0.0830   -2.2411 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