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
   -1.9994    0.1273   -2.3064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9355    0.2010   -1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050    0.4219   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2686    0.5462   -0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0281    0.5088    1.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603    0.0573   -0.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4746   -0.1572   -1.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717   -0.2698   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305   -0.1591    0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5831   -0.2500    1.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8540   -0.4631    1.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9880   -0.5723   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392   -0.4829   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3728    0.4897   -1.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2002    0.7148   -0.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4922    1.4618    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9697    0.4514    1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5599   -0.3246    1.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6278    0.7366   -1.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3058   -1.0562   -1.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234    0.0104    1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3703   -0.1498    2.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6787   -0.5338    1.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9944   -0.7397   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0501   -0.5690   -2.0283 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