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
    1.9713   -0.0244    2.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -0.0953    0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4981   -0.2696    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4914   -0.3467    1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7259   -0.3570   -1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333   -0.0033    0.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2837    0.1660    0.6301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315    1.3779    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8652    1.7258   -1.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4910    2.8752   -1.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1845    3.6797   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2660    3.3502    0.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6280    2.1914    0.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0360   -1.0716    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -2.2785    0.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0054   -3.4777    0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713   -3.4899   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9223   -2.2909   -0.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071   -1.0832   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3114   -0.2829    2.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872   -0.4745    0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1071   -1.1672   -1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864   -0.6410   -1.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    0.6426   -1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2263    0.2061    1.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    1.1014   -1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4364    3.1492   -2.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6714    4.5874   -1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8137    3.9921    1.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6704    1.8983    2.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6082   -2.3036    0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4689   -4.3847    0.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7316   -4.4462   -0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322   -2.3128   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8081   -0.1424   -0.4165 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