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
-2.1036 2.1365 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9599 0.8532 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6770 0.2075 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4811 0.9024 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6827 0.2427 -0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9400 1.0274 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7511 -1.1111 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6058 -1.8261 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -1.1791 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8662 -1.8937 0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2906 2.7912 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1013 2.5609 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8462 0.2271 0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4697 1.9997 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 1.2290 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8331 1.9841 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7921 0.4489 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7265 -1.6328 -0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6414 -2.9059 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 -2.9724 0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3124 -1.4156 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5388 -1.6739 -0.3339 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