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
-2.0344 2.2655 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9365 0.9469 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 0.2470 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5260 0.8908 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7257 0.2099 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0190 0.9108 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6796 -1.1636 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5040 -1.8498 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6702 -1.1279 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9562 -1.8806 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9947 2.7332 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1894 2.9225 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8336 0.3667 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5751 1.9528 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4483 0.7105 -1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7357 0.6784 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 2.0123 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6312 -1.7011 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4911 -2.9328 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7388 -1.5193 -0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2890 -1.7225 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8290 -2.9495 0.1998 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