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
cid=

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
   -3.7938    0.8956   -0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5339    0.1501   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5521    0.4690   -0.9767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696   -0.0946   -0.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    0.6715   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0436    0.2601   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208   -1.0038   -0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7268   -1.4140   -0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6332   -0.5384    0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2679    0.7321    0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655    1.1079    0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8665   -1.3213   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0282    0.6308    1.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4906    1.9152   -0.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4635    0.8871    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2683    0.3205   -1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406   -1.1021   -1.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4165    1.6997   -0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393   -1.7307   -0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0602   -2.4187   -0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643   -0.8420    0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9525    1.4464    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187    2.1158    0.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8785   -1.4906    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059   -1.6589   -1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1493   -1.9100    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2616    1.7272    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681    0.4103    1.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6061    0.0858    2.1270 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