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
   -1.5177   -0.8451   -0.3187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5143    0.0983    0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235    1.0435    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897    0.9199   -0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786    2.1853    1.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856    0.1767    1.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955   -0.6885    1.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4408   -0.7734    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190    0.0945   -0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -0.0062   -1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0811   -0.9833   -1.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179   -1.8572   -0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122   -1.7453    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3823    1.6410   -0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867    0.1174   -1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041    2.7754    1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548    2.8128    1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527    1.7377    2.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938   -1.7396    1.7814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065   -0.3483    2.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5704    0.8761   -0.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919    0.6871   -2.6987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   -1.1048   -2.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9743   -2.6309   -0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -2.4429    1.0002 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