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
    0.8329   -0.9491    1.1583 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5293   -0.3512    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.3003    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2510    0.3010    1.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468    0.9751   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062   -0.3751   -1.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1825   -0.9855   -1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009   -0.5136   -0.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0052    0.6603   -1.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1575    1.1304   -0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334    0.3921    0.5203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1580   -0.7919    0.9340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9878   -1.2298    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1794    0.7763    2.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7097   -0.1888    2.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6251    1.0633   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4733    0.3072   -1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1650    1.9892   -0.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -2.0961   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3621   -0.9095   -2.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5732    1.2673   -1.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6444    2.0516   -0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6370    0.7089    1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6107   -1.3695    1.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5612   -2.1629    0.6475 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