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
-3.0664 -0.4847 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2038 0.2245 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7722 0.0862 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1309 -1.1097 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8612 -2.3961 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2689 -1.1252 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9990 0.0326 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3178 1.2243 0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0497 1.2805 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7868 2.5409 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4913 0.0387 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6973 -1.2532 -1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1458 -0.3361 -0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6813 0.9936 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7709 -2.4136 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1699 -3.1180 0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9921 -2.8240 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7613 -2.0789 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9380 2.1346 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7530 2.5666 -0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0660 2.6246 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1545 3.4193 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8322 -0.8685 0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8451 -0.1356 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8480 0.9772 0.3406 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