Monomers

Benzyl methacrylate

Identifiers

IUPAC name
benzyl 2-methylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InchI Key
AOJOEFVRHOZDFN-UHFFFAOYSA-N
SMILES
O=C(C(=C)C)OCc1ccccc1
Canonical SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
Isomeric SMILES
CC(=C)C(=O)OCC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.3059
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    1.1316    0.6399   -0.8901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5197   -0.5017   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8405   -0.6442    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439   -1.8148    0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7273    0.5238    0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186   -1.5287   -0.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596   -1.4815   -1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060   -0.5783   -0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803    0.6946   -0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784    1.5251   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4239    1.1050    0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1578   -0.1654    1.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2681   -0.9804    0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302   -2.7052    0.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2279   -1.9468    0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3798    0.5446   -0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    0.5016    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662    1.4844    0.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999   -1.2501   -2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0996   -2.5167   -1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4092    1.0818   -1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0004    2.5314   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164    1.7786    1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6797   -0.4829    2.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0623   -1.9748    1.0521 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
 13  8  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers