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
   -1.0065    0.9289   -1.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508    0.4158   -0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8639   -0.1950   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4847   -0.2113   -1.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5380   -0.8090    1.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371    0.4700    1.1401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4218    1.0395    1.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4982    0.4547    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    1.1024    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916    0.6082   -0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236   -0.5419   -0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197   -1.2249   -0.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3788   -0.7008   -0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4786   -0.6653   -1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0217    0.2242   -2.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6263   -0.5498    0.9156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069   -1.9154    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0867   -0.3600    1.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    2.1386    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102    0.9088    2.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8591    2.0158    1.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7493    1.1305   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -0.9087   -1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623   -2.1175   -1.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4538   -1.2376   -0.2477 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