2,6-Dimethoxytricyclo[5.2.1.04,10]deca-2,5,8-triene
PubChem CID: 101407799
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3CCC1C23 |
| Deep Smiles | COC=CCCC5C=CC5C=C8)OC |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CC2CCC3CCC1C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 319.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethoxytricyclo[5.2.1.04,10]deca-2,5,8-triene |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H14O2 |
| Scaffold Graph Node Bond Level | C1=CC2C=CC3C=CC1C23 |
| Inchi Key | QINROAHZGAJCJJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1,4-dimethoxytriquinacene |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)OC, CC=CC |
| Compound Name | 2,6-Dimethoxytricyclo[5.2.1.04,10]deca-2,5,8-triene |
| Exact Mass | 190.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H14O2/c1-13-10-5-7-6-11(14-2)9-4-3-8(10)12(7)9/h3-9,12H,1-2H3 |
| Smiles | COC1=CC2C=C(C3C2C1C=C3)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Montanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701179