Monomers

Phenyl 4-[2-(acryloyloxy)ethoxy]benzoate

Identifiers

IUPAC name
phenyl 4-(2-prop-2-enoyloxyethoxy)benzoate
InchI
InChI=1S/C18H16O5/c1-2-17(19)22-13-12-21-15-10-8-14(9-11-15)18(20)23-16-6-4-3-5-7-16/h2-11H,1,12-13H2
InchI Key
CVTHXGRUEBRVQY-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCOc1ccc(cc1)C(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Isomeric SMILES
C=CC(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C18H16O5
Heavy Atom Count
23
Molecular Weight
312.321
Exact Molecular Weight
312.0998
Valence Electrons
118
Radical Electrons
0
tPSA
61.83
MolLogP
3.0138
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

 39 40  0  0  0  0  0  0  0  0999 V2000
    6.4490   -1.4186    2.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2630   -0.8983    1.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7308   -0.0158    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4510    0.5198   -0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3721    0.2861    0.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8632    1.1511   -0.8498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3616    1.3035   -0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.0190   -0.7774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134   -0.1724   -0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208    0.9442   -0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7432    0.7995   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3504   -0.4353   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357   -1.5321   -0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8305   -1.4162   -0.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7939   -0.5934   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3417   -1.7170   -0.3432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941    0.5052   -0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9619    0.3153    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5392    0.0540    1.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8971   -0.1277    1.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6927   -0.0559    0.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1065    0.2029   -0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7469    0.3880   -1.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3968   -1.2077    2.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8013   -2.0837    2.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3144   -1.1108    1.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3757    2.1331   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1079    0.7072   -1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211    1.7330    0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392    2.0396   -1.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0877    1.9146   -0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842    1.6659   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331   -2.5115   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374   -2.2887   -0.9478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9293   -0.0046    2.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3762   -0.3299    2.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7564   -0.1970    0.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7057    0.2622   -1.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3334    0.5877   -1.9880 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
 14  9  1  0
 23 18  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  0
  7 30  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 14 34  1  0
 19 35  1  0
 20 36  1  0
 21 37  1  0
 22 38  1  0
 23 39  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers