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
   -6.5446    1.6224   -1.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3376    1.3980   -0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7308    0.1511   -0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4092   -0.7054   -1.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5214   -0.0652    1.1576 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9364   -1.2407    1.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5318   -1.4026    1.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7695   -0.2860    1.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4451   -0.1168    1.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7607   -1.0448    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915   -0.8339    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2646    0.2803    0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699    1.2018    1.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7786    0.9977    1.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6832    0.4711    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3228    1.4791    0.7757 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000   -0.4506   -0.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7504   -0.2738   -0.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7713   -0.7302    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949   -0.5220   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    0.1607   -1.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4002    0.6268   -2.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0899    0.4082   -1.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2762    0.9044   -2.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9970    2.5547   -2.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6177    2.1371    0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656   -1.2094    2.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5613   -2.1321    1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0990   -2.3563    1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5567   -1.4289    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853   -1.9221    0.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335   -1.5578   -0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874    2.0749    1.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3418    1.7231    2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5032   -1.2621    1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8753   -0.8880    0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4636    0.3060   -1.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6517    1.1672   -3.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920    0.7641   -2.4515 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