Monomers
2,5-Dimethylstyrene
Identifiers
IUPAC name
2-ethenyl-1,4-dimethylbenzene
InchI
InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
InchI Key
DBWWINQJTZYDFK-UHFFFAOYSA-N
SMILES
C=Cc1cc(C)ccc1C
Canonical SMILES
CC1=CC(=C(C=C1)C)C=C
Isomeric SMILES
CC1=CC(=C(C=C1)C)C=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.9464
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
22 22 0 0 0 0 0 0 0 0999 V2000
-1.6349 -2.5600 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -1.2962 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6204 -0.4008 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6725 -0.7572 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7352 0.1407 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1147 -0.2759 0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 1.4504 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1801 1.8588 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8390 0.9425 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2294 1.3768 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6805 -2.9652 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5224 -3.2128 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7410 -0.9251 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8870 -1.7712 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7431 -0.3445 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0497 -1.2614 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5856 0.4835 1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2658 2.1899 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0281 2.9024 -0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8959 1.2193 0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5654 0.7769 -1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2330 2.4291 -0.9812 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
5 6 1 0
5 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
4 14 1 0
6 15 1 0
6 16 1 0
6 17 1 0
7 18 1 0
8 19 1 0
10 20 1 0
10 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers