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
   -9.9080    1.1044   -1.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5842    0.8564   -2.0321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6243    0.1110   -1.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3445    0.8642    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4607    0.2423    0.9989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1382    0.0198    0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3998   -0.6670    1.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0707   -0.9344    1.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030   -0.5344    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1067    0.1406   -0.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4527    0.3904   -0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.8521    0.2509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329   -0.0728    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.0341    1.2051 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3784   -0.4507    0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7649   -1.6445    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0840   -1.9565   -0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1148   -1.1184    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888    0.0760    0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.4023    1.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4027   -1.4987    0.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5784   -0.8734    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076    0.3470   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0330    1.0185    0.0631 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2721    0.4402   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3500   -0.7404   -0.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5076    1.1667    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6680    0.5865    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0461    2.1921   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0385    0.5000   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7108    0.8708   -2.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1410    1.8425   -2.2883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7092    0.2817   -2.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1628   -0.8523   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7788   -0.2235   -1.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8525    1.8440   -0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2827    1.2042    0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9099   -0.9839    2.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -1.4749    2.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5835    0.4403   -1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9818    0.9559   -1.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -2.3253   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122   -2.8926   -0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3883    0.7917    1.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958    1.3485    1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6426   -0.6069    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4191   -1.6228    0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8637    0.0126   -1.3327 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0179    1.0839   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4558    2.1814    0.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7220   -0.4259   -0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5694    1.1078    0.4111 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