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
    0.5856   -1.4238   -0.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.7216    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7251   -0.5232   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029    0.1987    0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131   -1.1337   -1.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9802   -0.1821    1.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3035   -0.3553    1.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4048    0.1411    1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    1.5067    1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7405    1.9987    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5217    1.1611   -0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2433   -0.1889   -0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1947   -0.6832    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3383    0.6423    1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    0.3464   -0.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422   -2.1962   -1.6025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -1.0273   -2.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962   -0.5995   -2.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2844    0.2082    2.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4029   -1.4183    2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1056    2.1771    1.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646    3.0768    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3169    1.5950   -1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516   -0.8522   -1.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0044   -1.7470    0.2682 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