Monomers

Phenyl 4-[2-(acryloyloxy)ethoxy]benzoate

Identifiers

IUPAC name
phenyl 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C18H16O5/c1-2-17(19)22-13-12-21-15-10-8-14(9-11-15)18(20)23-16-6-4-3-5-7-16/h2-11H,1,12-13H2
InchI Key
CVTHXGRUEBRVQY-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C18H16O5
Heavy Atom Count
23
Molecular Weight
312.321
Exact Molecular Weight
312.0998
Valence Electrons
118
Radical Electrons
0
tPSA
61.83
MolLogP
3.0138
H Bond Acceptors
5
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

 39 40  0  0  0  0  0  0  0  0999 V2000
    7.3949    1.3603    1.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2779    1.5329    0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7359    0.5445   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3842   -0.5120   -0.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5671    0.7241   -0.7662 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0201   -0.2245   -1.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261   -1.5309   -0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8357   -1.4978    0.0563 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5174   -1.1862    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450   -0.8507   -1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171   -0.5358   -0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453   -0.5548    0.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4977   -0.8889    1.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -1.1942    1.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663   -0.2332    0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2068   -0.2606    1.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4573    0.1082   -0.6485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8165    0.4176   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2492    1.7016   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5879    2.0073   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5205    0.9968   -0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1095   -0.2935   -0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7696   -0.5979   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9329    0.4278    1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    2.1216    2.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6973    2.4519    0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1912    0.1552   -2.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427   -0.4424   -2.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6828   -2.0402   -0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620   -2.2122   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096   -0.8487   -2.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582   -0.2832   -1.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963   -0.9036    2.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360   -1.4610    2.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5278    2.4865   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8751    3.0400   -0.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5551    1.2252   -0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8189   -1.1300   -0.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4596   -1.6191   -0.7987 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
 14  9  1  0
 23 18  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  0
  7 30  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 14 34  1  0
 19 35  1  0
 20 36  1  0
 21 37  1  0
 22 38  1  0
 23 39  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers