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
   -8.0431    1.3358   -1.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3529    0.3827   -1.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5656   -0.5759   -1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9086   -1.4838   -1.6584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5449   -0.4849    0.2795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8209   -1.3566    1.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3404   -1.3275    0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8080   -0.0357    1.0605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4554    0.1595    0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715   -0.8911    0.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -0.6533    0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    0.5712    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5443    1.6149    0.8755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8935    1.4167    1.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027    0.7569    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    1.8557    0.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4884   -0.3114   -0.1297 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467   -0.1375   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4203    0.2217   -1.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7994    0.3769   -1.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    0.1755   -0.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0662   -0.1841    0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882   -0.3373    0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9932    0.3450   -0.7537 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9386    0.1669    0.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0254    1.4064   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6101    2.0236   -1.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3381    0.2722   -2.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0060   -1.1156    2.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1665   -2.4010    0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1115   -1.5825   -0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8691   -2.0611    1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0277   -1.8934    0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3174   -1.4716   -0.0217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0979    2.5913    1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    2.1992    1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7761    0.3829   -2.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2063    0.6599   -2.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330   -0.3392    1.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2834   -0.6206    1.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2187   -0.9027    0.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5580    0.5589    1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8699    0.6927   -0.0447 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