Monomers

4-Butoxyphenyl 4-(acryloyloxy)benzoate

Identifiers

IUPAC name
(4-butoxyphenyl) 4-prop-2-enoyloxybenzoate
InchI
InChI=1S/C20H20O5/c1-3-5-14-23-16-10-12-18(13-11-16)25-20(22)15-6-8-17(9-7-15)24-19(21)4-2/h4,6-13H,2-3,5,14H2,1H3
InchI Key
ICITWMHLOOTUIT-UHFFFAOYSA-N
SMILES
CCCCOc1ccc(cc1)OC(=O)c1ccc(cc1)OC(=O)C=C
Canonical SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Isomeric SMILES
CCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C20H20O5
Heavy Atom Count
25
Molecular Weight
340.375
Exact Molecular Weight
340.1311
Valence Electrons
130
Radical Electrons
0
tPSA
61.83
MolLogP
4.1761
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

 45 46  0  0  0  0  0  0  0  0999 V2000
   -8.4265   -0.4121   -1.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1375   -1.1198   -1.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9254   -0.2965   -1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8873    0.0077    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8352    0.7446    0.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4974    0.5560    0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8772   -0.5721    0.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4866   -0.7410    0.5189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    0.2390    1.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2959    1.3906    1.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607    1.5481    1.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6766    0.1457    1.1356 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591    0.6010    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    1.0851   -0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9341    0.5192    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5524   -0.0135    1.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9318   -0.0794    1.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6860    0.3779    0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0473    0.9079   -0.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    0.9798   -0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0913    0.3011    0.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7357   -0.8313   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0162   -1.7514   -0.6577 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1839   -0.9778   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9671   -0.0304    0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8952   -0.9743   -0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3036    0.6494   -0.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1038   -0.4876   -1.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0427   -1.3210   -2.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0401   -2.0961   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520   -0.8175   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0016    0.6528   -1.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8656    0.5162    0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9360   -0.9430    1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4053   -1.3949    0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0408   -1.6656    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6711    2.1796    1.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1578    2.4423    1.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9714   -0.3839    2.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4148   -0.4940    2.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6707    1.2615   -1.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    1.4061   -1.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -1.8778   -0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0357   -0.0961    0.3473 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4989    0.8658    0.6874 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  2  0
 22 24  1  0
 24 25  2  3
 11  6  1  0
 20 15  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  7 35  1  0
  8 36  1  0
 10 37  1  0
 11 38  1  0
 16 39  1  0
 17 40  1  0
 19 41  1  0
 20 42  1  0
 24 43  1  0
 25 44  1  0
 25 45  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers