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
   -7.4630    1.4698   -0.6742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2437    0.8229   -1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1287   -0.6390   -0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0289   -0.8324    0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9724   -0.2376    1.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -0.3943    1.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0170   -1.3177    0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6370   -1.4493    0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474   -0.6262    1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415    0.3076    1.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    0.4309    1.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293   -0.7905    0.9183 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2310   -0.0632   -0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5715    0.7109   -0.7776 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6774   -0.1847   -0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3078    0.5656   -1.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6924    0.4875   -1.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3995   -0.3663   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7513   -1.1194    0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -1.0366    0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7712   -0.4517   -0.7169 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6507    0.3639   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1307    1.2108    0.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0944    0.3038   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9143    1.0988    0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4054    0.9604   -0.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5135    2.5038   -1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4155    1.5139    0.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3602    1.3764   -0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3139    0.9078   -2.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0298   -1.1809   -1.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2776   -1.0744   -1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9297   -1.9582    0.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0068   -0.6148    1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5766   -2.0113   -0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1857   -2.1858   -0.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7783    0.9454    2.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2677    1.1671    2.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    1.2215   -1.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1748    1.0808   -2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3812   -1.7628    1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9160   -1.6312    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4999   -0.4177   -0.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5049    1.8254    1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    1.0708    0.3422 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