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
   -3.8866   -0.7184    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -0.1323    0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5301   -0.5433    1.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.0249    0.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865   -0.7697    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866   -0.2771    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9354   -1.1462   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2066   -0.7223   -0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5440    0.5814   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    1.4725   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3861    1.0133    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5511    1.3704    0.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772   -0.7281   -1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5668   -0.5808   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7471   -1.8089    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3046   -0.2295    1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872    1.0155    1.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466   -1.8084    0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -2.1879   -0.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9178   -1.4297   -1.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5539    0.9099   -0.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    2.5083    0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815    1.7271    0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387    1.7477   -0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990    1.7426    1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5637    1.7440    0.1682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4707   -0.0812   -1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6766   -1.7210   -0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1085   -0.9231   -1.6039 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