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
    2.0952   -2.1930    0.0573 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0074   -0.9202   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1789   -0.0911   -0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669   -0.6201   -0.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0157    1.3719   -0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7215   -0.3936    0.0692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3846   -1.2452    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6307   -0.4610    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298   -0.2043   -0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4985    0.5194   -0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883    1.0026    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2953    0.7496    1.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1347    0.0312    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756   -1.6900   -0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277   -0.0063   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882    1.8715   -0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2394    1.6587   -1.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6984    1.7629    0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253   -2.0047   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2485   -1.7557    1.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -0.6014   -1.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915    0.6810   -1.7665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9182    1.5833    0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6745    1.1309    2.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5741   -0.1763    2.4467 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