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
    1.3699    1.7918    1.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    1.4574    0.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127    1.8913    0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8428    2.6613    0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    1.4587   -1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901    0.6444    0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460    0.1772    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2490   -1.2984    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7253   -1.9678    1.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6426   -3.3309    1.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -4.0924    0.9676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4232   -3.4650   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3329   -2.1073   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911    0.5894   -0.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6372    1.0628    0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7446    1.4657   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7186    1.3966   -1.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5572    0.9162   -2.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4581    0.5178   -1.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7867    3.0074    0.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707    2.9793    1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442    1.2826   -1.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    0.4725   -1.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0474    2.1831   -1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761    0.5948    1.5901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1841   -1.3347    2.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0230   -3.8190    2.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171   -5.1883    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8773   -4.0499   -0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7113   -1.5908   -1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6504    1.1149    1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6234    1.8309    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5818    1.7105   -2.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948    0.8844   -3.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5842    0.1536   -2.1765 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