Monomers

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

Identifiers

IUPAC name
(4-methoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C19H18O6/c1-3-18(20)24-13-12-23-16-6-4-14(5-7-16)19(21)25-17-10-8-15(22-2)9-11-17/h3-11H,1,12-13H2,2H3
InchI Key
FJYJQYRUKLDXEE-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Canonical SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C19H18O6
Heavy Atom Count
25
Molecular Weight
342.347
Exact Molecular Weight
342.1103
Valence Electrons
130
Radical Electrons
0
tPSA
71.06
MolLogP
3.0224
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

 43 44  0  0  0  0  0  0  0  0999 V2000
   -7.4745    2.1517   -0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2428    1.1350   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6282   -0.1862    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3251   -1.2101    0.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2756   -0.3961   -0.1233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6939   -1.6894    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2177   -1.5778   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6576   -0.7030    0.6901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3006   -0.4400    0.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5132   -1.0425   -0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1507   -0.7573   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830    0.1126    0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4115    0.7140    1.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7534    0.4272    1.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    0.3576    0.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320    1.1430    1.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6295   -0.2372   -0.3972 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9719    0.0560   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456   -0.6999    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2104   -0.4162    0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6429    0.6468   -0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7814    1.4161   -1.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4377    1.1126   -1.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0010    0.9896   -0.4073 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9228    0.2274    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4176    2.0323   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8964    3.1332   -0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2967    1.2957    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9105   -2.1408    0.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1171   -2.3829   -0.7586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599   -1.1423   -1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929   -2.6096   -0.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8846   -1.7218   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4655   -1.2316   -1.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0663    1.3812    2.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3976    0.8865    2.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5436   -1.5512    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9064   -1.0026    0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1361    2.2483   -1.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7734    1.7336   -1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8090   -0.8614    0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7820    0.2894    1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9600    0.5104    0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 21 24  1  0
 24 25  1  0
 14  9  1  0
 23 18  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  0
 13 35  1  0
 14 36  1  0
 19 37  1  0
 20 38  1  0
 22 39  1  0
 23 40  1  0
 25 41  1  0
 25 42  1  0
 25 43  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers