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
    2.0688   -1.4905    1.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300   -0.4585    0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    0.3762    0.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700    1.4324   -0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    0.0574    0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370   -0.1828    0.2330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445   -1.0215    0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6838   -0.4968    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8978   -1.1390    0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0812   -0.6624   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0759    0.4855   -1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8511    1.1215   -1.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6851    0.6389   -0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019    2.0546   -0.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998    1.6990   -0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0450   -0.4397   -0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3330   -0.6583    1.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9656    0.9405    1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -2.0847    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028   -0.9833    1.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8783   -2.0380    0.8324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0047   -1.1972   -0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9897    0.8653   -1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8588    2.0241   -1.8997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7473    1.1572   -0.9255 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