Monomers

4-[2-(Acryloyloxy)ethoxy]benzoic acid 4-methoxyphenyl ester

Identifiers

IUPAC name
(4-methoxyphenyl) 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C19H18O6/c1-3-18(20)24-13-12-23-16-6-4-14(5-7-16)19(21)25-17-10-8-15(22-2)9-11-17/h3-11H,1,12-13H2,2H3
InchI Key
FJYJQYRUKLDXEE-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)OC
Canonical SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Isomeric SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCOC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C19H18O6
Heavy Atom Count
25
Molecular Weight
342.347
Exact Molecular Weight
342.1103
Valence Electrons
130
Radical Electrons
0
tPSA
71.06
MolLogP
3.0224
H Bond Acceptors
6
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

 43 44  0  0  0  0  0  0  0  0999 V2000
   -9.6052   -0.2007    1.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9543   -0.0043    0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4756   -0.1073    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8770   -0.3787    1.5397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7678    0.0926   -0.6976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3907    0.0151   -0.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6655    1.0540    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3859    0.9246    0.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037    0.7718   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4192   -0.4176    0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0626   -0.5247    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6565    0.5412   -0.3312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0105    1.6960   -0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.8557   -0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0935    0.4617   -0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7910    1.4260   -0.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8203   -0.6945   -0.1489 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023   -0.7603   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0466   -0.4025    0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229   -0.4469    0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9732   -0.8767   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1742   -1.2458   -1.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8015   -1.1844   -1.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3634   -0.9201   -0.6079 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1955   -0.5473    0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0792   -0.4306    2.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6831   -0.1320    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4820    0.2252   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0743    0.1496   -1.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9751   -0.9704   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0825    0.9839    1.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0850    2.0454   -0.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0139   -1.2347    0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488   -1.4674    0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966    2.5516   -1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390    2.7756   -0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835   -0.0701    1.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0550   -0.1504    1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668   -1.5783   -2.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1826   -1.4823   -2.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9138   -1.0101    1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1370    0.5540    0.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2251   -0.8856    0.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 21 24  1  0
 24 25  1  0
 14  9  1  0
 23 18  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  0
 13 35  1  0
 14 36  1  0
 19 37  1  0
 20 38  1  0
 22 39  1  0
 23 40  1  0
 25 41  1  0
 25 42  1  0
 25 43  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers