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
   -7.3532    2.3863   -0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6770    3.4401   -1.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8951    4.3591   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500    3.5165    0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682    2.9337   -0.6194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9026    2.1172   -0.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1768    1.7000   -1.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.8766   -1.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579    0.4007   -0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    0.7902    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491    1.6339    0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345   -0.4268   -0.1829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6340    0.0863    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709    1.2870    0.6024 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8295   -0.7482    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0303   -0.2833    0.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1434   -1.1012    0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0896   -2.4264    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8635   -2.8956   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7952   -2.0587   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1699   -3.2316    0.4815 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5913   -4.1578    1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8962   -4.3043    2.4130 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8440   -4.9322    1.1502 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4978   -4.6785    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9892    2.8352    0.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5942    1.6960   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0259    1.8086   -1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9744    2.9212   -2.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3613    4.0771   -2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6354    4.8219    0.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4322    5.1248   -1.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3106    4.2642    0.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    2.7883    0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5254    2.0710   -2.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5255    0.5425   -2.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222    0.4359    1.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583    1.9095    1.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0729    0.7458    1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610   -0.6724    1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573   -3.9039   -0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8512   -2.4421   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1239   -5.6563    1.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4300   -5.2196   -0.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1732   -3.9315   -0.6171 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