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
   -0.7599   -1.2750    0.5379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4018   -0.5039   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -0.0718    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4411    0.7377   -0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3763   -0.5239    1.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8164   -0.0881   -1.3792 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -0.4876   -1.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908   -0.0887   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957    1.2165   -0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560    1.5842    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218    0.6232    1.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409   -0.6859    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0587   -1.0373    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4368    1.0757   -0.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0344    1.1046   -1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -1.4795    1.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4608   -0.6698    1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2068    0.2893    2.1654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161   -1.6027   -1.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7168   -0.0774   -2.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    1.9754   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1947    2.6256    0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1922    0.8882    1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4879   -1.4480    1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887   -2.0809   -0.0117 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