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
    0.9274   -1.3426    0.6867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -0.4043    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.1841    0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2241   -0.2590    1.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012    1.2960   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9339    0.0593   -1.1196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457   -0.4677   -1.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707   -0.2915   -0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5751   -0.9557   -0.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6649   -0.8551   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5762   -0.0368    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4095    0.6449    1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180    0.5154    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510   -1.0758    2.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1257    0.1474    2.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9647    2.2671    0.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4891    1.2556   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    1.1971   -1.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4704    0.1914   -2.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1096   -1.5200   -2.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235   -1.5941   -1.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6002   -1.3722   -0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4266    0.0780    1.6477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470    1.2865    2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4117    1.0519    0.5778 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