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
   -0.8220    1.5481   -0.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4675    0.4753   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8190    0.3321    0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3748    1.3399    0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5498   -0.9493   -0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5582   -1.0868 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4380   -0.5072   -1.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5215   -0.2428   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0947    1.0087   -0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1039    1.1824    0.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5469    0.1601    1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9567   -1.0853    0.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505   -1.3013    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8769    2.2777    0.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3614    1.2363    1.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7574   -1.0610   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4485   -0.9736    0.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252   -1.7766    0.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5992   -1.4910   -2.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    0.2489   -2.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    1.7985   -1.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366    2.1712    0.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3397    0.3383    1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3279   -1.8903    1.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5218   -2.2809    0.0143 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