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
   -8.0309    2.5308    0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6610    1.1728    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4777    0.4857   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0071    0.3466   -1.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3380   -0.4168   -0.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9777   -0.6571   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3230   -1.4031    0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9755   -1.6185    0.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300   -1.1288   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8986   -0.3868   -1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2741   -0.1465   -1.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.3357   -0.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1007   -0.4990   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512    0.5320    0.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906   -0.8062   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718    0.0042    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8285   -0.2830    0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2207   -1.3968   -0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709   -2.2043   -1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8523   -1.9206   -0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5131   -1.7836   -0.9082 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6554   -1.1526   -0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9203   -1.1485    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088   -0.4731    1.3528 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759    0.8629    1.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5107    1.5564    0.5759 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6583    1.4662    1.5447 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8381    2.7397    1.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1257    2.5597    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7158    2.8321   -0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7673    3.3187    0.8687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7639    1.2570    0.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1731    0.5694    1.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9887    1.0180   -1.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9130   -0.5361   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8918   -0.1418   -2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5067    1.3280   -1.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9219   -1.7770    1.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635   -2.1997    1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4091    0.0413   -2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7738    0.4341   -1.9767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2301    0.9098    0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5684    0.3936    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4834   -3.0972   -1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0782   -2.5987   -1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5257   -1.6611   -0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7110   -0.0716   -0.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0506   -0.7829    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0794   -2.2035    1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4332    0.8988    2.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0949    3.3557    0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7546    3.2169    1.5848 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