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
   -7.6891    2.1212    0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1034    0.9006    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1631   -0.1714    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5396   -1.3515   -0.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7929    0.0479    0.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8451   -0.9530   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4587   -0.3373    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525   -1.3040   -0.1824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1179   -0.9373   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1083   -1.8561   -0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295   -1.4795   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5639   -0.1673    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628    0.7447    0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7753    0.3745    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9649    0.2244    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869    1.4235    0.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9647   -0.7259   -0.1180 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2833   -0.3100   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0389   -0.2945    1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    0.1305    1.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9585    0.5604   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2253    0.5549   -1.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9048    0.1225   -1.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6357    2.3399    0.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3627    2.9500    0.7027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1537    0.6857    0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9373   -1.8252    0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9644   -1.2994   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3544    0.1463    0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3234    0.4428   -0.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889   -2.8734   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0136   -2.2119   -0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8076    1.7778    0.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5394    1.1158    0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5482   -0.6357    2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9358    0.1411    2.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880    0.9036   -0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7135    0.8943   -2.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3658    0.1311   -2.1200 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