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
    2.4776   -1.8732   -0.5345 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982   -0.7472   -0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1065    0.2263    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756   -0.1081    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7131    1.5731    0.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7514   -0.4775   -0.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2597   -1.3589   -0.5281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5599   -0.6285   -0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    0.1357   -1.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2690    0.7884   -1.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9196    0.6779    0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4064   -0.0808    1.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107   -0.7376    0.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6935   -1.0788   -0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1186    0.6020    0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646    2.2607   -0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5254    1.9990    1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689    1.4857    1.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2118   -1.6561   -1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -2.2766    0.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5542    0.2004   -2.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7298    1.4003   -1.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8618    1.1933    0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9264   -0.1670    2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7675   -1.3525    1.6675 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