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
    0.8917   -0.1879    1.4342 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4699    0.3268    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -0.0928    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327    0.4551   -0.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025   -1.1417    0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8170    1.3080   -0.2619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4789    1.7930    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275    0.7480   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0158    0.3407   -1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9933   -0.6252   -1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5368   -1.2367   -0.3084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0604   -0.8407    0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730    0.1350    1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234    1.2187   -1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4206    0.1382   -1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110   -2.1086    0.6237 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4438   -0.9191    1.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5766   -1.1950    0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021    2.5361   -0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5053    2.3064    0.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6033    0.8088   -2.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3538   -0.9221   -2.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3055   -1.9953   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4563   -1.2914    1.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7064    0.4419    2.0115 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