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
    3.2047   -0.4491    0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965    0.2622    0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    0.1153    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0282    1.2579    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6652    2.5602    0.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3818    1.1886   -0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -0.0209   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -1.1446   -0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680   -1.0742   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9463   -2.3433    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4697   -0.0917   -0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991   -0.1835    0.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1312   -1.2702   -0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271    1.1212    1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4537    2.6716   -0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029    2.5846    1.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0779    3.3664    0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9921    2.0905   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6609   -2.1156   -0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3067   -2.6573   -0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721   -3.1533    0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7031   -2.3813    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0508    0.2578    0.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7373   -1.1389   -0.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7547    0.5473   -1.4120 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