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
    2.2905   -1.8176   -0.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927   -0.6094   -0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388    0.2588    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4429   -0.1991   -0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0389    1.6733    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815   -0.1609    0.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -1.0901   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5912   -0.5113    0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8117    0.7885    0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0940    1.2434    0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1752    0.3917    0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9679   -0.9278    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -1.3522    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6470   -1.2351   -0.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2888    0.4568   -0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    1.7921    1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    2.3746   -0.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    1.9355    0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2506   -1.4641   -1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499   -1.9902    0.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605    1.4492    0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119    2.2671    0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1698    0.7468    0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8156   -1.6181    0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5332   -2.4017   -0.2301 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