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
   -3.0583   -0.8749    0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.0548   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8010   -0.0152   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1924    1.2391   -0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703    2.4193   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1735    1.3925   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9856    0.2900   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3837   -0.9377    0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0025   -1.1214    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5021   -2.4960    0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4727    0.4453   -0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7713   -1.6758    1.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1472   -0.7530    0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498    0.7149   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5135    3.3222   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9471    2.2677    0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4030    2.5113   -1.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306    2.3685   -0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263   -1.7872    0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817   -2.7477   -0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116   -3.2078   -0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080   -2.7347    1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6962    1.3557   -0.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9304   -0.4251   -0.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8877    0.5048    0.9879 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