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
   -3.0209   -0.3767    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721    0.3880    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7890    0.1435    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2355   -1.0753   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0817   -2.3104   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1346   -1.1962   -0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9674   -0.1078   -0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    1.1245   -0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0451    1.2783   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5498    2.6303    0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4390   -0.2634   -0.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0602   -0.0469    1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8044   -1.3269    1.4581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900    1.3306   -0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0401   -2.1667   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -3.0266   -0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864   -2.7921    0.9208 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5293   -2.1856   -0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0620    1.9879   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3353    2.6079    0.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    2.9419   -0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2826    3.3272    0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0232    0.2815    0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026   -1.3250   -0.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7297    0.1579   -1.6067 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