Monomers

2-Tert-butyl-6-ethenylnaphthalene

Identifiers

IUPAC name
2-tert-butyl-6-ethenylnaphthalene
InchI
InChI=1S/C16H18/c1-5-12-6-7-14-11-15(16(2,3)4)9-8-13(14)10-12/h5-11H,1H2,2-4H3
InchI Key
PMIYUQAELBKOLL-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(c1)ccc(c2)C(C)(C)C
Canonical SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C=C
Isomeric SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C16H18
Heavy Atom Count
16
Molecular Weight
210.32
Exact Molecular Weight
210.1409
Valence Electrons
82
Radical Electrons
0
tPSA
0.0
MolLogP
4.7803
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2

MOL File


     RDKit          3D

 34 35  0  0  0  0  0  0  0  0999 V2000
    5.5686    0.4899    0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9341   -0.6291    0.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994   -0.6816    0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9130    0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5275   -1.9867   -0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7435   -0.8632   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3131    0.3715    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6995    0.4450    0.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5703    1.5213    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7874    1.4319    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    0.2273   -0.1560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246   -0.8922   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8679    0.2193   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1762    0.8325   -1.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4591    1.0600    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4799   -1.1476   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0964    1.4451    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6422    0.4807    0.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4872   -1.5793    0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172   -2.7660    0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722   -2.9513   -0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331    1.4183    0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0714    2.4488    0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3611    2.3578    0.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779   -1.8358   -0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2211    1.1909   -1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5122    1.7207   -1.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199    0.0995   -2.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875    1.0480    1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4846    0.7576    1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5162    2.1204    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1484   -1.8769   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5779   -1.0482   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3264   -1.5155    0.8312 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
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  8  3  1  0
 12  6  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  4 20  1  0
  5 21  1  0
  8 22  1  0
  9 23  1  0
 10 24  1  0
 12 25  1  0
 14 26  1  0
 14 27  1  0
 14 28  1  0
 15 29  1  0
 15 30  1  0
 15 31  1  0
 16 32  1  0
 16 33  1  0
 16 34  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers