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
-2.9165 -1.1567 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7129 -1.2417 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5510 -0.4284 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 -1.0133 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8870 -0.3392 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2260 -1.0122 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7925 1.0067 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5654 1.6313 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6107 0.8978 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9098 1.6420 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2023 -0.4335 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6940 -1.8301 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5696 -2.0589 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7591 -2.0622 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0949 -2.0345 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6413 -1.0981 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9389 -0.4801 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6808 1.6120 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4553 2.6878 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6910 2.7490 0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6067 1.3211 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3025 1.6411 -1.1232 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