Monomers

4-tert-Butylstyrene

Identifiers

IUPAC name
1-tert-butyl-4-ethenylbenzene
InchI
InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3
InchI Key
QEDJMOONZLUIMC-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(C)(C)C
Canonical SMILES
CC(C)(C)C1=CC=C(C=C1)C=C
Isomeric SMILES
CC(C)(C)C1=CC=C(C=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H16
Heavy Atom Count
12
Molecular Weight
160.26
Exact Molecular Weight
160.1252
Valence Electrons
64
Radical Electrons
0
tPSA
0.0
MolLogP
3.6271
H Bond Acceptors
0
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

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.5754   -0.0905   -0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6984   -0.6001    0.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -0.3530    0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    0.9113    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486    1.0798   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463    0.0040    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0944   -1.2453    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314   -1.4672    0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9017    0.2092   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1147    0.8682   -1.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5951   -1.1312   -0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    1.0209    1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345    0.5471   -1.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6517   -0.3086   -0.0206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0204   -1.2066    1.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5036    1.7630    0.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468    2.0792   -0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5940   -2.0802    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -2.4348    0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1008    0.5865   -1.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701    1.9738   -1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593    0.5645   -2.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630   -0.9589   -0.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -1.8174   -0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4959   -1.5616    0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5493    0.9663    1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057    2.0518    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0080    0.6298    1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  8  3  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers