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
-1.2085 2.6699 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5328 1.4079 0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5897 0.4001 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7330 0.7175 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6502 -0.2398 -0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0693 0.1084 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2568 -1.5461 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0583 -1.8426 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9878 -0.9199 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4120 -1.2885 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2212 3.0690 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9602 3.3990 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5504 1.0968 0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1308 1.7085 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4987 -0.5060 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1937 1.1954 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6207 -0.1112 0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9765 -2.2898 -1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3759 -2.8676 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6093 -0.9572 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5162 -2.3867 0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1074 -0.8173 -0.4196 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