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
    1.9916    0.7319    2.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    0.4215    0.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413    0.3199    0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5711    0.5601    1.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8191   -0.0418   -1.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0565    0.1812    0.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2531    0.2769    0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8364   -1.1005    0.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315   -1.6557    1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -2.9253    1.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9121   -3.6883    0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   -3.1421   -0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6914   -1.8711   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960    1.2199   -0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6328    2.4542   -0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4231    3.3364   -1.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7138    2.9642   -1.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1943    1.7477   -1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3864    0.8828   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913    0.8256    2.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980    0.5072    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519    0.1748   -1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1664   -1.0824   -1.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599    0.6055   -1.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662    0.5582    1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6569   -1.0785    2.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -3.3242    2.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3252   -4.6899    0.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0930   -3.7335   -1.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -1.4920   -1.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3615    2.7288   -0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9997    4.2839   -1.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037    3.6816   -2.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1869    1.4391   -1.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7866   -0.0761   -0.1513 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