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
    9.2112    1.5605    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4390    0.4384    1.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0977    0.3083    1.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4976    1.3185    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1528    1.1970    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123    0.0882    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0420   -0.8876    1.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3761   -0.7976    1.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864    0.0486    0.1512 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6455   -0.5388   -1.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506   -1.0607   -1.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2424   -0.5585   -1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077    0.0316   -0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0480    0.0261   -0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4838   -0.5686   -2.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289   -1.1736   -2.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859   -1.1448   -2.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628   -0.6400   -2.5438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9576   -0.2088   -2.0293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4061   -0.8062   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6695   -0.2425   -0.3479 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3173   -0.6139    0.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7320   -1.4872    1.5261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5917   -0.0627    1.2301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2158    0.8433    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2034   -0.5259    2.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2093    1.4213    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3146    1.6432    0.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7678    2.5089    1.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0768    2.1922    0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7468    2.0211   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032   -1.7573    1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8435   -1.5891    2.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262    0.5062    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472    0.5124   -0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516   -1.6553   -3.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -1.6142   -3.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8877    0.9121   -1.9278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7761   -0.4345   -2.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6352   -1.9075   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589   -0.6782    0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1710    1.2498    0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8010    1.2146   -0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2817   -0.3052    2.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6952    0.0622    3.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0366   -1.6022    2.6717 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