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
    2.1102    0.4345   -1.7224 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253    0.4276   -0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    0.6384    0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711    0.6374    1.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7027    0.8636   -0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576    0.2089    0.2527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066    0.0023   -0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042   -1.3697   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820   -2.4811   -0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4000   -3.7638    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207   -3.9131    0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449   -2.8103    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207   -1.5361    0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1829    1.0374   -0.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824    1.6123   -0.9955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9007    2.5738   -0.7212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870    3.0335    0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072    2.4817    1.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766    1.5051    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6398    0.7963    1.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238    0.4756    2.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4115    1.5404   -0.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4261    1.2919   -1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1988   -0.1265   -0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    0.0591   -1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195   -2.3966   -0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2098   -4.6518   -0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024   -4.9205    0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5859   -2.9171    0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6902   -0.6745    0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8368    1.2504   -2.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4879    2.9731   -1.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8167    3.7953    0.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4521    2.8456    2.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7694    1.0767    2.0598 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