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
-3.0229 0.4653 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2488 -0.2285 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8163 -0.0506 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1094 1.1112 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8319 2.4016 0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2947 1.1270 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0162 -0.0256 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3118 -1.2026 -0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 -1.2204 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8299 -2.4909 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5114 -0.0057 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1149 0.2787 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7212 1.2233 1.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7541 -0.9883 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2207 3.1836 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9095 2.6260 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8072 2.3389 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8328 2.0597 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8524 -2.1470 -0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3213 -2.5161 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6115 -2.5924 0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1018 -3.3249 -0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8672 0.6802 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8542 -1.0116 -0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9469 0.3089 0.7127 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