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
   -2.2482    0.3515    1.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2140    0.0579    0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8823   -0.0095   -0.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101   -0.2521   -1.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561   -0.3009   -1.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9490   -0.1126   -0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751   -0.1976   -1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -0.0320   -0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162    0.2299    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9407    0.3184    1.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8240    0.1495    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8307   -1.3106   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0204    1.0662   -0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9293   -0.3218    2.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2502    0.2536    2.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5653    1.4153    1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110   -0.4222   -2.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1274   -0.5072   -2.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3914   -0.4070   -2.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -0.1071   -0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0671    0.3653    1.6149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7785    0.5262    2.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8475    0.2332    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430   -2.1209    0.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9008   -1.3459    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7475   -1.4545   -1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1047    0.8368   -0.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8453    2.0891   -0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7084    1.0090   -1.5851 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