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
    2.0861   -0.4088   -2.0265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2331   -0.0624   -0.8277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5748    0.2033   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136    0.0713   -1.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7826    0.6123    1.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0956    0.0531   -0.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2092   -0.1953   -0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0215    1.0432   -0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    1.4349   -1.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5686    2.5857   -1.6014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5412    3.4174   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7518    3.0591    0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    1.8964    0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8698   -1.3223    0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628   -2.2888   -0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1920   -3.3559   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1474   -3.4925    1.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4656   -2.5478    2.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8405   -1.4828    1.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5365   -0.2238   -2.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5940    0.2644   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9341    1.6977    1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572    0.0645    1.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    0.2757    1.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0806   -0.4859   -1.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8379    0.7688   -2.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1777    2.8324   -2.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1227    4.3418   -0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6857    3.6739    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3828    1.6059    1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6011   -2.1849   -1.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7270   -4.1014   -0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6241   -4.3096    1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398   -2.6690    3.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209   -0.7706    2.1241 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