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
    2.2922   -0.8643   -1.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532   -0.5465   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4663   -0.6288    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4730   -0.3036    1.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7261   -1.0857   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0360   -0.1296    0.2438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517   -0.0415   -0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6947    1.3223   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7603    2.1137    0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713    3.3962    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7265    3.9185   -0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6679    3.1452   -1.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1549    1.8691   -1.7676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1861   -1.0161   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8180   -2.3182    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261   -3.2712    0.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0522   -2.9366    0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4094   -1.6230    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5088   -0.6706    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5577    0.0257    2.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3608   -0.3645    2.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4989   -1.8765   -0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1708   -0.2170   -0.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4290   -1.5289    0.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1174   -0.3704   -1.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4290    1.7909    1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3353    4.0469    1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1299    4.9238   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0263    3.5502   -2.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1148    1.2711   -2.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168   -2.6331    0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4381   -4.2988    0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7753   -3.6664    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4452   -1.3329    0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7763    0.3506   -0.0722 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