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
    2.3483   -1.7428   -0.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0242   -0.6320   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0317    0.2627    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    1.4333    1.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4651   -0.1035    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6841   -0.2956   -0.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3149   -1.1735   -0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372   -0.5072   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337   -0.6593    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6696   -0.0389    0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1164    0.7699   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3601    0.9449   -1.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1367    0.3224   -1.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6134    1.7293    1.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855    2.1147    1.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624    0.4634    1.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    0.0126   -0.5097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060   -1.1844    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2891   -2.1578   -0.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0509   -1.3478   -1.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0565   -1.3014    1.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2611   -0.1874    1.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730    1.2477   -0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7235    1.5777   -2.1075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5195    0.4531   -2.3305 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