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
    1.9153    1.0355    2.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    0.4154    1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4515    0.0745    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037    0.4181    1.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6060   -0.6674   -0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0106    0.0553    0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3269    0.3708    0.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0678   -0.9100    0.7843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9550   -1.8418   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6114   -3.0403   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4318   -3.3599    0.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5712   -2.4623    1.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8988   -1.2580    1.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8756    1.2696   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1418    2.3164   -0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6304    3.1667   -1.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031    2.9522   -2.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586    1.8898   -1.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1497    1.0445   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3645    0.9484    2.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4910    0.1686    0.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137    0.0371   -1.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7758   -1.3868   -0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5666   -1.2267   -0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3034    0.9083    1.6625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3153   -1.6208   -1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911   -3.7549   -1.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664   -4.3223    0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2246   -2.7038    2.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0264   -0.5688    2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8512    2.4760   -0.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0754    3.9928   -2.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3130    3.6148   -3.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6464    1.7479   -2.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7755    0.2208   -0.4283 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