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
   -2.0115   -0.2697    2.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1655   -0.0504    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9281    0.3713    0.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5968    0.6827   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6319    0.6525   -1.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8374    0.3067   -0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8884   -0.0623    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1054   -0.3725    0.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2963   -0.3279    0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592    0.0431   -1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0617    0.3509   -1.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    0.9430    0.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483   -1.3367   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9281   -0.6428    2.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146   -1.0158    2.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6679    0.7049    2.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4299    0.9684   -1.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7236    0.9402   -2.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9873   -0.1141    0.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0834   -0.6567    2.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2398   -0.5655    0.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2064    0.0744   -1.5635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0724    0.6377   -2.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7241    0.8233   -0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0832    0.8617    1.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8555    1.9811    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5439   -1.7117    0.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7847   -2.1260   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6462   -1.0898   -1.2270 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