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
   -0.5949    1.2627    1.2516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4237    0.5261    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6443    1.1034    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8341    2.4069    0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6436    0.2916   -0.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1463   -0.8238    0.5988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0282   -1.4625    1.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2624   -0.9954    0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -1.3785    1.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803   -0.9861    0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7765   -0.1638   -0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082    0.2307   -1.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3848   -0.1713   -0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085    2.8812   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1228    3.0498    0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340    0.0099    0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2167   -0.5829   -1.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1269    0.9216   -1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0539   -1.3766    2.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1726   -2.5679    0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197   -2.0211    2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6023   -1.3157    1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7564    0.1564   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6512    0.8666   -1.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4526    0.1386   -1.0112 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