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
-1.8682 -2.4273 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 -1.1155 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6334 -0.3020 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6266 -0.8408 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7744 -0.0335 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1198 -0.6924 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6245 1.3241 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3648 1.8456 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7821 1.0849 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1438 1.6833 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9490 -2.9715 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7803 -2.9946 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8097 -0.6228 -0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7246 -1.8996 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0533 -1.3738 1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4073 -1.1689 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8393 0.1300 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5291 1.9382 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2611 2.9188 -0.2027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6140 1.4385 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0828 2.7780 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8253 1.3012 0.5534 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