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
    2.4025   -0.5756   -1.5974 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    0.1049   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582    0.7439    0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3191    1.4488    1.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223    0.6121   -0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    0.2439    0.0178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1260   -0.3237   -0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7072   -1.3118    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1762   -2.5295    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200   -3.4773    0.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7887   -3.1652    2.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3249   -1.9503    2.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.0171    1.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226    0.6910   -0.8487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173    0.5788   -2.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7665    1.4897   -2.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    2.5693   -1.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501    2.7240   -0.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4089    1.7935   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1865    1.9189    1.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3317    1.5557    1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5237    0.1086    0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7375    0.0812   -1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2024    1.6524   -0.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -0.8839   -1.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1330   -2.8029   -1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0916   -4.4385    0.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2162   -3.8985    2.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879   -1.7170    3.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.0760    2.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339   -0.2682   -2.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2943    1.3514   -3.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7774    3.2924   -1.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5490    3.5759    0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761    1.8991    0.8800 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