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
   -2.2671    1.2795   -1.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622    0.1703   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315   -0.5780   -0.6720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4776   -1.6617    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7522   -1.7530    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7931   -0.7738    0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564    0.4057   -0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373    1.2872   -0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9672    0.9675   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210   -0.2217    0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611   -1.0765    0.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8845    0.7535    1.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3223   -0.6977   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595    2.0812   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479    0.9216   -2.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268    1.7010   -1.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2169   -2.4633    0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923   -2.6861    1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7449    0.7257   -0.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948    2.2175   -1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8104    1.6506   -0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109   -0.4199    1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2223   -2.0040    1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6355    1.8278    0.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8276    0.6594    1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0160    0.2815    1.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1873    0.0126   -0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483   -1.3952    0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3528   -1.2117   -1.2892 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