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
   -3.0139    0.0906   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1188    0.6879   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.2634   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260    1.2769    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291    2.6803   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330    0.9034    0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9489   -0.4075    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9638   -1.3630    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988   -1.0551    0.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3804   -2.1652    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895   -0.7494    0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8494   -0.7817   -1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633    0.4578   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4489    1.5770    0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6756    3.3165    0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9580    2.9380    0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    2.9311   -1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2755    1.6880    0.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2706   -2.3968    0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212   -1.8670    0.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251   -2.9346    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5377   -2.6193   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0295   -0.0425   -0.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132   -1.7700    0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7369   -0.6588    1.4227 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