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
    1.2969    1.8985    7.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4513    2.0426    6.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0079    1.0616    5.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998    0.0653    5.3503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2342    1.2021    5.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7955    0.3312    4.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0253    0.2897    2.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004   -0.0814    2.9598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8559   -0.2179    1.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021   -0.0228    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249   -0.1608   -0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0208   -0.5139   -0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404   -0.7116    1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5164   -0.5788    2.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -0.6730   -1.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1538   -0.9709   -0.9398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488   -0.5370   -2.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7221   -0.7020   -3.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    0.4032   -3.9764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4221    0.2723   -4.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6825   -0.9359   -5.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9511   -2.0462   -5.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727   -1.9191   -4.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6717   -1.1204   -6.5314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4176   -0.0271   -6.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5439    1.1278    7.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    2.6977    7.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674    2.8878    6.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8352    0.6761    3.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8728   -0.7184    4.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353    1.3058    2.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -0.3669    2.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2549    0.2522    0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887    0.0040   -1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770   -0.9948    1.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290   -0.7423    3.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    1.3917   -3.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9676    1.1492   -5.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1431   -3.0117   -5.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4204   -2.8018   -3.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9769    0.5631   -7.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7066    0.6755   -6.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3862   -0.4427   -7.3550 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