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
   -2.1392    1.5611    1.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753    0.5651    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1490   -0.0932   -0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0704   -1.1467   -1.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4916    0.4540    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6786    0.1282    0.0645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864    0.8276    0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7055    0.2832    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4033    0.7259   -0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6466    0.2030   -1.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2367   -0.7717   -0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5534   -1.2198    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3115   -0.6912    1.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9696   -1.5869   -1.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1273   -1.5765   -1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6129    1.3905   -0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5120    0.6415    1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3099   -0.2127   -0.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947    0.8323    1.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473    1.8710    0.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    1.4977   -1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    0.5431   -1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2118   -1.1871   -0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266   -1.9905    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7747   -1.0477    1.9418 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