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
    0.9124   -1.1472   -0.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299   -0.2267   -0.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7984   -0.5550    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2713   -1.7814    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    0.4627    1.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721    1.0248   -0.3078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2357    1.3924   -0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4219    0.6850   -0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891   -0.1204    0.7266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5696   -0.7534    1.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7472   -0.5766    0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7764    0.2308   -0.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179    0.8396   -1.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2077   -2.0291    0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7506   -2.5860   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6463    0.4982    0.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1399    1.4514    0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5597    0.2864    2.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324    1.2466   -2.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    2.4884   -0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4776   -0.2655    1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5524   -1.3908    2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6590   -1.0543    0.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6686    0.4007   -1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6507    1.4795   -1.9525 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