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
    1.9974    1.3205   -1.7484 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484    0.6562   -0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1783    0.3894    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3148    0.8496   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -0.3831    1.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7027    0.2228   -0.2679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4464    0.5374   -1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6825    0.0013   -0.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1691   -1.2463   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350   -1.6892   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0354   -0.9091    0.7190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5355    0.3292    1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3738    0.7801    0.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    1.4277   -1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760    0.6934    0.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2385    0.3724    2.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925   -0.9620    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3983   -1.0861    1.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121    0.1101   -2.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066    1.6470   -1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.8847   -1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232   -2.6865   -0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9529   -1.2369    1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0826    0.9616    1.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0474    1.7853    0.7297 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