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
    0.8941   -0.9978    0.9711 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5126   -0.4379    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682    0.2329    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686    0.8489   -0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3093    0.2574    1.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9691   -0.4870   -1.2239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2344   -1.1305   -1.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4137   -0.6026   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687   -1.2432    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0757   -0.7153    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642    0.4632    0.5702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1096    1.1027   -0.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0156    0.5784   -1.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0952    0.8463   -1.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973    1.3457   -0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6586    1.2981    1.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893   -0.0306    2.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -0.3992    1.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170   -1.0634   -2.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1177   -2.2400   -1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548   -2.1662    0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5125   -1.2261    1.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5237    0.8785    1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5551    2.0346   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5952    1.1083   -2.0303 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