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
    2.3250    1.7370    0.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414    0.5065    0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039   -0.4986    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7532   -1.7598    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5213   -0.0606    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.1740   -0.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3153    1.1749   -0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6462    0.5690   -0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632   -0.7925   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125   -1.3484   -0.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2115   -0.5151   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0117    0.8500   -0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    1.4066   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -2.5175    0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7206   -2.0229   -0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5954    0.9771   -0.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -0.1112    1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1164   -0.6892   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808    1.8305   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942    1.7996    0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0159   -1.4476   -0.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2969   -2.4192   -0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2279   -0.8868   -0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8562    1.5492   -0.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6272    2.4949   -0.2034 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