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
   -2.3184    1.4584   -0.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0346    0.3378   -0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1043   -0.6141   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8242   -1.7916    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5105   -0.2604   -0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7031    0.0251   -0.0453 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590    0.9943   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6353    0.5675    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806    1.4366   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    1.0864    0.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784   -0.1501    0.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2501   -1.0363    0.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9393   -0.6634    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104   -2.0783    0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5965   -2.5159    0.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4762    0.4126   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1351   -1.1501   -0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9258    0.3185    0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0522    1.9297    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909    1.2674   -1.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4572    2.4195   -0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8117    1.7895   -0.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2941   -0.4332    0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4710   -2.0150    1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1176   -1.3347    0.7323 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