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
    1.0521    0.0978    1.3148 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527   -0.2842    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.1858   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3651   -0.2097   -1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6088    1.1323    0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7995   -1.1613   -0.5222 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403   -1.6968   -0.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5398   -0.7432   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2015   -0.2186   -1.1379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2565    0.6919   -0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6202    1.0531    0.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9590    0.5291    1.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -0.3604    1.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8252   -0.9014   -2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3270    0.1283   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528    1.8070   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937    1.7397    1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2749    0.5121    1.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6641   -2.4581   -1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3258   -2.3131    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9465   -0.4776   -2.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7849    1.1119   -1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4410    1.7622    0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2610    0.8278    2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4318   -0.7546    2.0880 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