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
    2.0395   -1.7570    1.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   -0.6645    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1154    0.0969    0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0149    1.2317   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4623   -0.4078    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -0.2316    0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4564   -1.0066    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7297   -0.3357    0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9546   -0.9131    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1413   -0.3186   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1264    0.8864   -0.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9026    1.4653   -0.9699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7175    0.8687   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437    1.6062   -0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8824    1.7989   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1039   -0.5663   -0.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4060   -1.4028    0.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579    0.3280    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4485   -2.0150    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4479   -1.1027    1.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9455   -1.8689    0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0889   -0.8066    0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0430    1.3818   -1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8571    2.4085   -1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477    1.3248   -0.7791 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