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
    0.9034    1.4198    0.6469 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989    0.5707   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530    0.2040    0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040    0.7739    1.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627   -0.7845   -0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8156    0.0548   -1.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690    0.3412   -1.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5490    0.0699   -0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0810   -1.2083   -0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0969   -1.4650    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6303   -0.4767    1.2408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1102    0.7941    1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0827    1.0563    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751    1.5153    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4112    0.5526    1.6988 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4711   -1.1883    0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1714   -0.2315   -1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0467   -1.5906   -0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737   -0.3127   -2.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122    1.3758   -1.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6516   -1.9777   -1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4917   -2.4626    0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4290   -0.6822    1.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5255    1.5764    1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7104    2.0753    0.1541 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