Monomers

t-Butoxystyrene

Identifiers

IUPAC name
2-[(2-methylpropan-2-yl)oxy]ethenylbenzene
InchI
InChI=1S/C12H16O/c1-12(2,3)13-10-9-11-7-5-4-6-8-11/h4-10H,1-3H3
InchI Key
FXRQXYSJYZPGJZ-UHFFFAOYSA-N
SMILES
CC(OC=Cc1ccccc1)(C)C
Canonical SMILES
CC(C)(C)OC=CC1=CC=CC=C1
Isomeric SMILES
CC(C)(C)OC=CC1=CC=CC=C1
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
9.23
MolLogP
3.4724
H Bond Acceptors
1
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

 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.8087    0.7306    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6264   -0.0081    0.1356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.3417    0.8633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2078   -0.1340    0.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768    0.7422    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1648    0.3818    0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1673    1.3584    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4809    1.0475    0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285   -0.2628   -0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8777   -1.2612   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5616   -0.8963    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5935    0.3915   -1.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592   -1.5127    0.2883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9423    0.2730    1.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542    1.7685    0.9584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7004    0.7033    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -1.1685    0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5889    1.7954    0.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802    2.3916    0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2443    1.8328    0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8582   -0.4857   -0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487   -2.2926   -0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8320   -1.6963   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5615    0.8525   -1.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356    1.1939   -1.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4279   -0.4582   -1.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9203   -2.0389    0.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6285   -1.6669    1.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2923   -1.9229   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  2 12  1  0
  2 13  1  0
 11  6  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 12 25  1  0
 12 26  1  0
 13 27  1  0
 13 28  1  0
 13 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers