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
-3.0516 0.2149 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1016 0.7768 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7604 0.2847 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3996 -1.0392 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4076 -2.1179 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9590 -1.4026 -0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9632 -0.4669 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5705 0.8523 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2584 1.2505 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1543 2.6738 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3958 -0.8560 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 -0.6843 1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0766 0.6612 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3482 1.6926 -0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6375 -2.5136 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3148 -1.8574 -0.5097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9594 -3.0002 -0.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2052 -2.4615 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3442 1.6257 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8098 2.9106 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7749 2.9419 0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7125 3.3564 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0596 -0.0718 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5932 -1.7750 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7425 -0.9951 -1.2838 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