Monomers

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

Identifiers

IUPAC name
(4-butoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C22H24O6/c1-3-5-14-25-19-10-12-20(13-11-19)28-22(24)17-6-8-18(9-7-17)26-15-16-27-21(23)4-2/h4,6-13H,2-3,5,14-16H2,1H3
InchI Key
MLVGJHUPVVXAFC-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OCCOC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
CCCCOC1=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
C22H24O6
Heavy Atom Count
28
Molecular Weight
384.428
Exact Molecular Weight
384.1573
Valence Electrons
148
Radical Electrons
0
tPSA
71.06
MolLogP
4.1927
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

 52 53  0  0  0  0  0  0  0  0999 V2000
   -6.9007   -0.2691    1.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7578   -1.2976    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2481   -1.8876   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0356   -0.9094   -1.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1244    0.0532   -1.2196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8293    0.1410   -0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2937    1.4073   -0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9579    1.5550   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1123    0.4791   -0.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6099   -0.7728   -0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9571   -0.9006   -0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797    0.7052    0.0062 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760    0.9679   -0.9818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2494    0.9857   -2.1647 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5723    1.2044   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    1.4557   -1.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7779    1.6835   -1.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3057    1.6748   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4059    1.4228    0.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0599    1.1906    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6222    1.9128    0.0629 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3852    1.9321    1.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4946    0.6075    1.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0963   -0.2839    0.9244 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3302   -1.6073    1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976   -1.9516    2.4422 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9408   -2.5583    0.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2877   -2.1872   -0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9425    0.6763    0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3474   -0.0646    2.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8545   -0.5740    1.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7650   -0.8485    0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9292   -2.1235    1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0462   -2.6001   -0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3430   -2.4953   -0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0299   -0.4691   -1.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7215   -1.4882   -2.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9766    2.2401   -0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5656    2.5517   -0.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204   -1.6025   -0.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2832   -1.9007   -1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225    1.4812   -2.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4453    1.8778   -2.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    1.4171    1.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3961    0.9973    1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9247    2.6403    1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4026    2.3638    0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1519    0.6657    2.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    0.1686    2.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0955   -3.5700    0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7332   -2.9114   -1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1446   -1.1852   -1.2415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  3
 11  6  1  0
 20 15  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  2 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  7 38  1  0
  8 39  1  0
 10 40  1  0
 11 41  1  0
 16 42  1  0
 17 43  1  0
 19 44  1  0
 20 45  1  0
 22 46  1  0
 22 47  1  0
 23 48  1  0
 23 49  1  0
 27 50  1  0
 28 51  1  0
 28 52  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers