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
    2.1858    1.5795   -1.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0031    0.5243   -0.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1129   -0.2893   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317   -1.3899    0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4868    0.1187   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6956    0.1705   -0.1554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4018    0.9853   -0.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6802    0.4133   -0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8061   -0.7527    0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0214   -1.2710    0.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1524   -0.5750    0.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0655    0.5944   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8441    1.0656   -0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9189   -1.6980    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407   -2.0296    1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302    0.1911   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2532   -0.5779    0.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6374    1.1408    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3981    1.0912   -1.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2508    1.9971   -0.1372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9069   -1.2882    0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0691   -2.2044    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1226   -0.9486    0.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9627    1.1526   -0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8149    2.0000   -1.0549 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