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
   -0.9280    1.3730   -0.0696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5335    0.3018    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8063    0.0069   -0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4676   -1.1038   -0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3875    0.9638   -1.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9348   -0.5462    1.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.3298    1.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4397   -0.1958    0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6587    0.2263    1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7522    0.3466    0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538    0.0479   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537   -0.3735   -1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557   -0.4928   -0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0747   -1.8228    0.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4104   -1.3304   -0.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4782    1.1045   -1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2470    0.6552   -2.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9392    1.9868   -1.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2711    0.5310    2.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589   -1.2304    2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7955    0.4756    2.4085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    0.6842    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.1598   -1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -0.6059   -2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4502   -0.8320   -0.9212 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