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
    3.0812    0.2464    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2064   -0.3859   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923   -0.1050   -0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1832    1.0830    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0181    2.3098    0.3074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093    1.2427    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9922    0.1300    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4082   -1.0902   -0.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0437   -1.2199   -0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849   -2.5536   -0.5846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4794    0.2297    0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1552   -0.0366    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253    1.0047    1.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964   -1.1673   -0.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    2.5642    1.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3854    3.1565   -0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9238    2.2979   -0.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6234    2.2214    0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0160   -1.9935   -0.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2186   -2.5192   -1.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2058   -3.3008   -0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2455   -2.8752    0.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9292   -0.5868   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8297    1.1947   -0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929    0.1533    1.1399 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