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
    3.0259   -0.7265    0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976    0.2011   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553    0.1088   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1092   -1.0793   -0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7898   -2.3245   -0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886   -1.1010   -0.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494    0.0533    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3023    1.2576    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516    1.2776    0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8319    2.5406    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4189    0.0247    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1024   -0.5955   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7430   -1.6268    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044    1.0973   -0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -2.0693   -1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546   -2.8102   -1.4862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0032   -3.0352    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794   -2.0515   -0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315    2.1641    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    2.4401    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304    2.7503   -0.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305    3.3841    0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7930   -1.0056    0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9419    0.6934   -0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6258    0.4325    1.4420 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