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
   -0.9036    0.6723    1.2265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118    0.4143    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347   -0.2132    0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4478   -0.4715   -0.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242   -0.5290    1.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8944    0.7393   -1.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    1.3330   -1.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671    0.5783   -0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569   -0.5181   -1.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -1.2057   -0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144   -0.8361    0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407    0.2492    1.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0011    0.9274    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4347   -0.9389   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0131   -0.2393   -1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9530    0.0564    2.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289   -0.3244    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3004   -1.6330    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5841    1.4966   -2.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3330    2.3788   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6755   -0.8330   -2.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660   -2.0675   -0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4466   -1.3871    1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103    0.5753    2.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942    1.7761    1.2677 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