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
   -7.2776   -0.5910   -2.1543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8852    0.5176   -2.3991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0185    1.3447   -1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6441    2.4932   -1.8082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6489    0.8121   -0.2835 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8386    1.4664    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6351    0.4913    1.8733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9835   -0.6621    1.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6624   -0.6918    1.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733    0.4241    1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5327    0.3650    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -0.8030    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -1.9054    0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265   -1.8843    0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091   -0.8943   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636   -1.9734   -0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849    0.1716   -0.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6269    0.1541   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1222    0.3551   -1.6605 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    0.3258   -1.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3707    0.0901   -0.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636   -0.1089    0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5279   -0.0815    0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7554    0.0586   -1.1746 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6504   -0.1942   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6604   -1.5583   -2.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6570   -0.7468   -0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1478    1.0374   -3.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2934    2.4144    1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8856    1.6392    0.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0053    0.9996    2.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6451    0.2137    2.2666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2714    1.3270    1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443    1.2747    0.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239   -2.8446   -0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851   -2.7399    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4044    0.5310   -2.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8859    0.4797   -2.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5655   -0.2959    1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1852   -0.2405    1.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5629   -1.2523    0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6753    0.0316   -0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121    0.4505    0.7674 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