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
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
-2.9674 -0.7840 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2175 -0.0805 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7752 -0.0297 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2376 1.2074 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0956 2.3427 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1284 1.3444 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9492 0.2677 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3784 -0.9287 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0119 -1.0905 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5197 -2.3993 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4331 0.4032 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5930 -1.4328 1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 -0.7226 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7901 0.5397 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4827 3.1969 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8302 2.1436 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6303 2.7187 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6302 2.2586 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0074 -1.7686 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2763 -3.1621 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4106 -2.7540 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5920 -2.5943 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8196 -0.2220 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7094 1.4670 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8657 0.0791 0.7146 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