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
   -2.3485   -2.0174    0.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0659   -0.8072    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1020    0.1845    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3506   -0.1617    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7742    1.6145    0.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7591   -0.4289   -0.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2707   -1.3665   -0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446   -0.6334   -0.3554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794    0.7433   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7641    1.4108   -0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608    0.7242   -0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9445   -0.6577   -0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -1.3064   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1711    0.5301    0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6231   -1.2184    0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4980    2.2835    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8227    1.9051   -0.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319    1.7651    0.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1327   -2.0642   -0.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3816   -1.9763    0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    1.2814   -0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7733    2.5006   -0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811    1.2810   -1.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8865   -1.1888   -0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -2.3973   -0.3972 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