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
    3.1461    0.4238   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1151   -0.2990   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7348   -0.1211   -0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0150   -1.3021   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -2.5734   -0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3460   -1.1891    0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9486    0.0431    0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725    1.1695    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1910    1.0989   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865    2.3585   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3961    0.1140    0.7735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1049    1.2892    0.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1202    0.1439   -0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4041   -1.1648   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6423   -2.6899    0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849   -2.8373   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098   -3.3911    0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9618   -2.0717    0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6535    2.1433    0.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3748    2.7915    0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    2.3594   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1167    3.1531   -0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7549    1.1433    0.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5551    0.0665    1.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9782   -0.6586    0.2518 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