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
   -2.3243    0.2105    1.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6188   -0.0213    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6148    0.4870   -0.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3058    0.0406   -0.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6433    0.8727   -0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0498    0.4832   -0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5127   -0.7814   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8595   -1.1202   -0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7862   -0.1907    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487    1.0816    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0116    1.4003    0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    0.6101   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7106   -1.5159   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2412    0.2997    1.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038   -0.6754    2.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462    1.0933    1.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1391   -0.9882   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938    1.9024   -0.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8022   -1.5266   -0.8349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1896   -2.1268   -0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8360   -0.4761    0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0891    1.7980    0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6628    2.4049    0.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7411    0.4502    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1846    0.1560   -1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7481    1.6918   -0.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4856   -1.9880    0.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803   -1.6300   -1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7107   -1.9418    0.0266 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