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
   -1.0442   -1.2291    0.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752   -0.1941   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689    0.2976    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4254    1.3805   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5449   -0.4844    1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8645    0.4769   -1.2157 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700    0.0650   -1.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4577   -0.0020   -0.7343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    0.4538    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    0.3341    1.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888   -0.2505    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375   -0.7102   -0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470   -0.5900   -1.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3721    1.7067    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9353    1.9404   -0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3590   -1.5888    1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1941   -0.2268    2.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6506   -0.3618    1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.7951   -2.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3217   -0.9197   -2.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5308    0.9097    0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4924    0.6941    2.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540   -0.3472    1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610   -1.1731   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587   -0.9763   -2.1596 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