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
   -2.9000    1.1791    0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2253    0.3469   -0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087    0.0767   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3221   -1.2070   -0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3046   -2.2900   -0.7470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0098   -1.5065   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.5239    0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4208    0.7335    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    1.0510    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2644    2.4779    0.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727   -0.8282    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4864    1.7382    1.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9734    1.3401    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7025   -0.2124   -1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9337   -3.2381   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2790   -2.0178   -0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4497   -2.2976   -1.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760   -2.5107   -0.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331    1.5313    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6392    3.1015    0.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    2.8596   -0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4106    2.7464    1.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6618   -1.5781   -0.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9161    0.1100   -0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208   -1.0820    1.2812 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