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
    2.3394   -0.5687    1.6658 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   -0.3766    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4460   -0.3660   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531   -0.1648   -1.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602   -0.5847    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9986   -0.1777   -0.0971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1744   -0.1841    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968    1.2290    0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1389    1.8661    1.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6142    3.1614    1.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6466    3.8222    0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2173    3.2312   -0.6329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7454    1.9254   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1655   -1.1710    0.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8017   -1.9492    1.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7366   -2.8943    0.9294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0908   -3.1095   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4776   -2.3516   -1.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5179   -1.3836   -1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2457   -0.1555   -2.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    0.0024   -2.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7082   -0.2183    1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9198   -1.6763    0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5886   -0.0629   -0.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0703   -0.3686    1.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0904    1.2979    2.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9577    3.6542    2.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190    4.8304    0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421    3.7505   -1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    1.4585   -1.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341   -1.7937    2.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1842   -3.4607    1.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8305   -3.8596   -0.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7689   -2.5361   -2.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0639   -0.8161   -1.8254 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