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
   -2.5636   -0.9055   -1.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6366   -0.0944   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -0.5325    0.7914 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -0.4390    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6514   -0.2100    1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440   -0.0979    0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050    0.1461    1.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3378    0.2559    1.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7951    0.1310    0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8419   -0.1121   -0.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5007   -0.2223   -0.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3258    1.3471   -0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0087   -0.1627    0.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262   -0.6494   -2.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -0.7569   -1.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676   -1.9776   -1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704   -0.5540   -0.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820   -0.0959    2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6974    0.2528    2.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.4455    2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8286    0.2121   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1464   -0.2172   -1.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8233   -0.4121   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666    1.9803    0.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658    1.4353   -0.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0007    1.7109   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7210    0.2121   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1245    0.5038    1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3304   -1.1933    0.7036 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