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
    1.3729    2.6851    0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    1.6569    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5341    0.6010   -0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    0.7687   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696    2.1069    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6592   -0.3436   -0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1539   -1.6138   -0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2131   -1.7896   -0.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522   -0.6992   -0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5144   -0.8594   -0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0764   -2.7791   -0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5602    2.8929    1.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487    3.4851    0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    1.6190   -0.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7935    2.8591   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512    2.3497    1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4498    2.0923   -0.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7297   -0.2082   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6620   -2.7834   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.9241   -0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789   -0.2775   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0284   -0.5831    0.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0785   -2.4383   -0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110   -3.5247   -0.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1419   -3.2929    0.7555 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