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
   -6.3369   -1.9179    3.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7844   -1.1301    2.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5627    0.1190    1.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1250    0.9322    0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9023    1.4026    0.6813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6116    1.1980    0.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0300   -0.0434    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6718   -0.1748    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8350    0.9098    0.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181    2.1450    0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7547    2.3281    0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5271    0.7781    0.2080 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1524    0.8134   -1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4737    0.9693   -2.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061    0.6752   -1.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516    0.5048   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7236    0.3735   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737    0.4053   -1.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5851    0.5794   -2.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2103    0.7142   -2.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7354    0.2782   -1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3778   -0.9365   -1.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433   -1.9609   -1.7373 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8117   -1.0408   -1.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556   -2.2236   -2.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8351   -2.8513    2.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5195   -2.2554    4.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0446   -1.3324    3.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7266   -0.8470    2.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7066   -1.7686    1.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5620    0.7730    2.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6517   -0.1601    1.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3657    0.2871   -0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9326    1.7534    0.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6634   -0.9500    0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849   -1.1928    0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7603    3.0291    0.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101    3.3175    0.7205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8575    0.4759    0.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    0.2410    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0467    0.6129   -3.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595    0.8516   -3.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4393   -0.1734   -1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7496   -3.1313   -2.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4199   -2.3773   -2.2132 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