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
   -2.1712    1.4917    1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025    0.3711    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8940    0.0496   -0.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4911   -0.8881   -0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247   -1.2308   -1.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9168   -0.7073   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9036    0.2681    0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0842    0.7485    0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3054    0.2463    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331   -0.7237   -0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858   -1.1907   -0.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8805    0.9243   -1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0038   -0.7984    0.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1985    1.4093    1.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601    2.4599    0.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793    1.3473    2.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931   -1.3969   -1.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8889   -2.0209   -1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0109    0.7260    0.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0518    1.5064    1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917    0.6382    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3062   -1.1334   -0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -1.9709   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5932    2.0059   -1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4771    0.3617   -1.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9602    0.7829   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7923   -1.0758    0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5563   -0.5180    1.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944   -1.6825    1.0015 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