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
   -2.1260    1.7904    0.8579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687    0.6639    0.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1149   -0.1578    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540   -1.3571   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4830    0.3906    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6934    0.1752    0.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3982    1.0221    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6954    0.3668    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2789    0.5106   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4764   -0.0729   -1.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1580   -0.8463   -0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5792   -0.9942    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   -0.4079    1.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -1.7380   -0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882   -1.9985   -0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7525    0.1327    1.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2230    0.0320   -0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4229    1.5059    0.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758    1.9591   -0.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3947    1.3314    1.5256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    1.1225   -1.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218    0.0521   -2.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1129   -1.3215   -0.7675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -1.6126    1.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562   -0.5485    2.0515 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