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
   -8.5744   -0.7119   -1.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1599   -0.2151   -0.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0161    0.5400    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5741    0.9911    0.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7477   -0.1419    0.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3586   -0.0321    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7060    1.1750    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3371    1.2775    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780    0.1392    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067   -1.1076    0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810   -1.1674    0.5056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959    0.1250    0.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5237    0.1855   -0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8940    0.2509   -1.5122 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9805    0.1717   -0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.0997    0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0114    0.0894    0.8475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7411    0.1488   -0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0572    0.2201   -1.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6688    0.2332   -1.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1199    0.1391   -0.3246 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641   -1.0220   -0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2515   -2.1099   -0.4505 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3192   -0.9745   -0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9703    0.1668   -0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6965   -1.7748   -0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2303   -0.1102   -0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8582   -0.5936   -2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8584    0.4618   -1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4999   -1.0989   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6838    1.4204    0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2384   -0.1626    1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3395    1.6553   -0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3927    1.5397    1.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046    2.0768    0.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8236    2.2279    0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6294   -2.0323    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0709   -2.1350    0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371    0.0541    1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5048    0.0321    1.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6028    0.2675   -2.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1118    0.2887   -2.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8916   -1.8867   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    0.1921   -0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    1.1072   -0.2813 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