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
-2.9759 -0.6679 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8444 -0.9907 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5856 -0.3590 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5795 -1.1536 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8100 -0.6303 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0313 -1.4810 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8631 0.7298 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7443 1.5256 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5174 0.9862 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6886 1.9211 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8873 -1.2052 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1429 0.0608 0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7864 -1.7808 -1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4564 -2.2269 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8511 -0.9459 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8348 -2.4277 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4129 -1.7179 -0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8525 1.1426 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7929 2.5921 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3276 2.9300 -0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0619 2.0965 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4108 1.6022 -0.8255 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