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
    2.1387    0.4497   -2.0143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9810    0.0769   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -0.2530    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9974   -0.6355    1.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4827   -0.1564   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6720    0.0215   -0.3615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4047    0.3674   -1.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7120    0.2407   -0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    1.3011    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    1.1804    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1742   -0.0133    0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483   -1.0861    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4080   -0.9421   -0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209   -0.7118    1.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -0.8768    1.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4733   -0.8124   -1.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2537   -0.5388    0.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7172    0.8673   -0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3272   -0.3365   -2.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2721    1.4268   -1.6016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356    2.2584    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8971    2.0575    1.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1395   -0.0568    1.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2056   -2.0110   -0.0083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0279   -1.8172   -1.1232 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