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
   -2.1210    1.7389    0.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9653    0.5841    0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1142   -0.2744   -0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0087   -1.4939   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4723    0.2248    0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6651    0.2011   -0.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447    1.0773    0.1720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7178    0.4358   -0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7281   -0.8392   -0.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553   -1.3919   -1.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138   -0.6862   -0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1133    0.5839   -0.3546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8826    1.1496   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0110   -1.8412   -0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8522   -2.1278   -0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6526   -0.0342    1.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2543   -0.2496   -0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4520    1.3256    0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4998    1.3100    1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453    1.9895   -0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8540   -1.4357   -0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0070   -2.3806   -1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0523   -1.1563   -1.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0279    1.1350   -0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9268    2.1553    0.3764 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