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
    3.1664   -0.2080   -0.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1456    0.5439   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525    0.1697   -0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599    1.1793   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3225    2.4984   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184    0.9910   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9474   -0.2384    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1090   -1.2399    0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2679   -1.0285    0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   -2.0922    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4142   -0.4756    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1423   -1.2416   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1758    0.2505   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3726    1.6095    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583    2.4074   -1.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4493    2.9821   -1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5055    3.1614   -0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333    1.7580   -0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387   -2.2036    0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7026   -2.7823    1.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4529   -2.7062   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551   -1.6401    1.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9740    0.4608    0.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5868   -1.0673    1.1620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7013   -1.0887   -0.6385 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