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
   -7.4077    1.0909   -1.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5239    0.2448   -2.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6374   -0.4330   -1.1902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7821   -1.2471   -1.6026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7164   -0.2001    0.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9696   -0.7380    1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5065   -0.4824    1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8148   -0.9567    0.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469   -0.8042   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6817   -0.1534    0.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6823    0.0095    0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157   -0.4763   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -1.1186   -1.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7883   -1.2789   -1.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7593   -0.2797   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553   -0.7194   -1.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    0.3613    0.4014 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861    0.5608    0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8019   -0.3358    0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1611   -0.1119    0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6080    1.0436    0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7208    1.9775   -0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3788    1.7122   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4750    1.2789   -0.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0662    1.5971   -2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4770    0.0739   -3.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3951   -0.3095    2.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1447   -1.8491    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0710   -1.0336    2.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2700    0.5897    1.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1909    0.2235    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2059    0.5258    1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676   -1.4975   -2.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4006   -1.7890   -1.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4589   -1.2433    1.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8974   -0.8215    1.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    1.2790   -0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0857    2.8956   -0.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    2.4150   -0.6733 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