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
   -8.2891    1.0278   -1.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3132    1.6224   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4025    0.8501    0.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4673    1.3975    1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5897   -0.5009    0.5742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8672   -1.4238    1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4393   -1.6213    0.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7089   -0.4312    1.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3619   -0.4342    0.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7327   -1.5832    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3771   -1.6027    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3487   -0.4400    0.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2768    0.7128    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6379    0.7290    0.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7811   -0.4318   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3431   -1.4882   -0.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    0.7087   -0.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9240    0.6516   -0.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    0.9189   -1.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5911    0.8724   -2.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5933    0.5681   -1.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2033    0.3104    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8790    0.3456    0.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9119    0.5411   -1.5143 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9087    0.2293   -0.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9506    1.5911   -1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4236   -0.0322   -0.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1973    2.6962   -0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4199   -2.3955    1.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9266   -1.0806    2.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9705   -2.4510    1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3209   -1.9742   -0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381   -2.4846    0.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110   -2.5027   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    1.6121    0.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0577    1.6715    1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4817    1.1603   -2.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8928    1.0762   -3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9529    0.0714    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5490    0.1477    1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7658    0.8110    0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7745   -0.8525   -0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9317    0.3705   -0.9619 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