Monomers

2-Propenoic acid, 2-methyl-, diphenylmethyl ester

Identifiers

IUPAC name
benzhydryl 2-methylprop-2-enoate
InchI
InChI=1S/C17H16O2/c1-13(2)17(18)19-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16H,1H2,2H3
InchI Key
AVXYPAZKABBYHD-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OC(c1ccccc1)c1ccccc1
Canonical SMILES
CC(=C)C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2
Isomeric SMILES
CC(=C)C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C17H16O2
Heavy Atom Count
19
Molecular Weight
252.313
Exact Molecular Weight
252.115
Valence Electrons
96
Radical Electrons
0
tPSA
26.3
MolLogP
3.8953
H Bond Acceptors
2
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

 35 36  0  0  0  0  0  0  0  0999 V2000
    1.3329   -2.1131    1.7246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496   -1.4729    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -1.6527    0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9214   -2.5105    0.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6244   -0.8845   -0.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9409   -0.5771    0.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3914   -0.2913    0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3687   -0.6336   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1854   -0.3203   -1.9048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1161   -0.6514   -2.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2735   -1.3117   -2.5181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4797   -1.6337   -1.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5486   -1.2983   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4736    1.1116    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591    2.0919    0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1009    3.4329    0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959    3.7814    1.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339    2.8122    2.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1579    1.5009    2.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9185   -2.6291    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6249   -3.1032    1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4359   -1.4014   -1.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -0.6432   -1.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9660    0.1074   -0.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6095   -0.9523    1.3729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3033    0.1907   -2.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9827   -0.4126   -3.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0417   -1.5988   -3.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3911   -2.1616   -0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127   -1.5532    0.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7267    1.9042   -0.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874    4.2175    0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    4.8248    2.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827    3.0643    3.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6745    0.7667    2.6697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 13  8  1  0
 19 14  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  0
  9 26  1  0
 10 27  1  0
 11 28  1  0
 12 29  1  0
 13 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 18 34  1  0
 19 35  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers