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
-2.8837 1.1944 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 1.2431 -0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5281 0.4233 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7686 0.9602 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 0.2711 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2672 0.8758 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7502 -1.0245 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4896 -1.5616 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6794 -0.8632 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0050 -1.5559 0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3558 0.5537 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5951 1.9356 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4207 2.0186 -1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8890 1.9841 -0.6917 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0530 0.1207 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4908 1.5841 0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3447 1.4779 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6404 -1.5974 0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3466 -2.5888 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4022 -1.3950 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7617 -2.6735 0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6521 -1.3829 -0.4854 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