Monomers

2,4,6-Trimethylstyrene

Identifiers

IUPAC name
2-ethenyl-1,3,5-trimethylbenzene
InchI
InChI=1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3
InchI Key
PDELBHCVXBSVPJ-UHFFFAOYSA-N
SMILES
C=Cc1c(C)cc(cc1C)C
Canonical SMILES
CC1=CC(=C(C(=C1)C)C=C)C
Isomeric SMILES
CC1=CC(=C(C(=C1)C)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14
Heavy Atom Count
11
Molecular Weight
146.233
Exact Molecular Weight
146.1096
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
3.2549
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

 25 25  0  0  0  0  0  0  0  0999 V2000
   -3.1512    0.3529    0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417   -0.2228   -0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135   -0.0983   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -1.2036   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378   -2.4743   -0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864   -1.1471   -0.3145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964    0.0256    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    1.1234    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1804    1.0391    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362    2.2897    0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4705    0.1108    0.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9579    1.0017    1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2267    0.1903    0.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6123   -0.8778   -1.1124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6631   -2.5505   -0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0758   -3.3380   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6077   -2.6083   -1.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014   -2.0150   -0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6425    2.0711    0.6568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8071    2.4022   -0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816    3.1899    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1411    2.3860    1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8856   -0.7223    0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    0.0257   -0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    1.0496    0.6692 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
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  7 11  1  0
  9  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  5 15  1  0
  5 16  1  0
  5 17  1  0
  6 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
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers