2,6-Dimethylstyrene
PubChem CID: 16266
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| Compound Synonyms | 2,6-DIMETHYLSTYRENE, 2039-90-9, 1,3-Dimethyl-2-vinylbenzene, Benzene, 2-ethenyl-1,3-dimethyl-, 2-ethenyl-1,3-dimethylbenzene, Styrene, 2,6-dimethyl-, EINECS 218-029-4, 1,3-Dimethyl-2-ethenylbenzene, DTXSID20174333, MFCD00014938, 2,6-dimethyl-styrene, DTXCID3096824, AKOS006283306, AB89892, FD66050, AS-76434, DB-098358, Stabilised with 0.1% 4-tertbutyl-catechol, CS-0158030, NS00021826, D94584, EN300-1856683, 218-029-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C=CccC)cccc6C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Styrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-1,3-dimethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OWRKXOZFTROHSH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,6-dimethylstyrene |
| Esol Class | Soluble |
| Functional Groups | cC=C |
| Compound Name | 2,6-Dimethylstyrene |
| Exact Mass | 132.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 132.2 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H12/c1-4-10-8(2)6-5-7-9(10)3/h4-7H,1H2,2-3H3 |
| Smiles | CC1=C(C(=CC=C1)C)C=C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Lippia Javanica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9712027