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
   -2.9631    0.8548    0.6911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998    0.2118   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    0.0953   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751    1.0989    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4421    2.4534    0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8642    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9753   -0.3679   -0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1008   -1.3797   -0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2549   -1.1674   -0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983   -2.2314   -0.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431   -0.6209    0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670    1.3862    1.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0447    0.8801    0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7008   -0.3125   -0.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281    2.6388    1.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3022    3.1901    0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3639    2.6590    0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    1.6945    0.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5514   -2.3404   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -3.1374   -1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722   -2.4176   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556   -1.9796   -1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   -1.5373   -0.5551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701   -0.7872    1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    0.2523   -0.3509 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