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
   -2.2853    1.2731    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742   -0.0451   -0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4581   -0.4503   -0.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -0.6864   -0.4996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7485    0.2012   -0.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1165    0.0619   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0093    1.0805   -0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3182    0.9697   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   -0.1456    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271   -1.1393    0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894   -1.0750    0.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9989   -1.0503    0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7217    0.1632   -1.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4814    1.8493   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1786    1.9504    0.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685    1.1701    1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109   -1.5896    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5117    1.1346   -1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7184    1.9860   -1.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516    1.7400   -0.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7368   -0.2704    0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1349   -2.0193    1.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485   -1.8902    0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   -0.7741    1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1072   -1.0000    0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7286   -2.0808    0.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5436    0.7366   -0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0813   -0.8311   -1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2878    0.7307   -2.0898 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