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
   -2.6686    0.5775   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4882   -0.3512    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787   -1.2666   -0.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2209   -0.7331   -0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6852   -0.7466    0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048   -0.2020    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3933    0.3389   -1.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6654    0.8469   -1.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6040    0.8245   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2298    0.2842    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -0.2179    1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7718   -1.0971    0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1848    0.4404    1.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8981    1.3889   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6635    1.0159   -1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5803   -0.0608   -2.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104   -0.3559   -1.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -1.1661    1.3553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7008    0.3821   -1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9533    1.2690   -2.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6089    1.2218   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9605    0.2646    1.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668   -0.6450    2.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841   -1.2938    1.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7599   -2.0948   -0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6477   -0.5073   -0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2105    0.9433    1.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9974    1.1866    1.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142   -0.2464    2.1781 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