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
    2.6108    0.2227    1.4818 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    0.1600    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5038    0.2173   -0.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391    0.3371   -0.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334    0.1409   -2.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0855    0.0330   -0.1635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -0.0266    0.7337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7533   -1.3067    0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1304   -1.2472    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -2.3987    0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2238   -3.5959    0.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8328   -3.6564    0.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009   -2.5170    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8698    1.1415    0.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3689    1.9046    1.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1762    3.0005    1.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4969    3.3475   -0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0237    2.6176   -1.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2156    1.5237   -0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9503    0.3936    0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5512    0.3800   -1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8102    0.9223   -2.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4548   -0.8870   -2.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1378    0.2915   -2.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3771    0.0439    1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6880   -0.3212    0.6388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9871   -2.3623    0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7940   -4.5015    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3254   -4.6109    0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9956   -2.5439    0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1014    1.6120    2.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594    3.5883    2.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340    4.2087   -0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078    2.9356   -2.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450    0.9527   -1.6620 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