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
   -3.1793   -0.6037    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2523    0.1823   -0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    0.0744   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131   -1.0960    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -2.4216   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2654   -1.0864    0.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9990    0.0754    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2959    1.2469   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0643    1.2587   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8035    2.5635   -0.2966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4929    0.0661    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2315   -0.4041    0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9451   -1.4824    0.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303    1.0679   -0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5794   -2.5059   -0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0097   -3.1824   -0.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287   -2.7772    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227   -2.0210    0.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8910    2.1729   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0655    3.3825   -0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3623    2.5881   -1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4295    2.7356    0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    1.0141    0.7271 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440   -0.7346    0.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360   -0.1130   -0.7305 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