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
-2.0738 -2.1979 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8556 -0.9158 -0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6398 -0.2308 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 -0.8846 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5777 -0.2147 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7006 -0.9766 1.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6793 1.1482 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6236 1.8276 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5079 1.1389 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6513 1.8743 -1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9982 -2.6192 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3302 -2.8372 -0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6463 -0.2981 -1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3813 -1.9773 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2060 -1.6417 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4316 -0.2756 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2609 -1.5342 2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5928 1.6636 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6730 2.9116 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4246 2.9387 -1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5828 1.6863 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8470 1.4146 -2.0154 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