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
    2.2175   -0.3519    1.9783 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124   -0.3735    0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4710   -0.5718    0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701   -0.7215    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347   -0.6079   -1.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0309   -0.2110    0.0597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -0.0150    0.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1870   -1.0931    0.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9678   -1.6641    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8751   -2.6631    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0303   -3.1329   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2474   -2.5577   -1.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3357   -1.5563   -0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7199    1.3199    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1749    2.3736    0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1816    3.6628    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752    3.9089   -0.3751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    2.8744   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9941    1.6017   -0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5064   -0.8691    0.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5092   -0.6933    1.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    0.0466   -1.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459   -1.6235   -1.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407   -0.2100   -1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0567   -0.0199    1.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8529   -1.2971    2.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4583   -3.0719    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490   -3.9308   -0.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -2.9367   -2.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381   -1.1342   -1.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    2.2186    0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370    4.4547    0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7826    4.9287   -0.6421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3932    3.1145   -0.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7071    0.8018   -0.1645 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