2,2,9-Trimethyl-1,6-dioxaspiro[4.4]nona-3,8-diene
PubChem CID: 15139933
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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 | C1CCC2(C1)CCCC2 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=CCOC5C=CCO5)C)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1COC2(C1)CCCO2 |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,9-trimethyl-1,6-dioxaspiro[4.4]nona-3,8-diene |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H14O2 |
| Scaffold Graph Node Bond Level | C1=CC2(C=CCO2)OC1 |
| Inchi Key | GZMRUYPUKPHWRG-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,2,9-trimethyl-1,6-dioxaspiro[4.4]-nona-3.8-diene |
| Esol Class | Very soluble |
| Functional Groups | CC1=CCOC12C=CCO2 |
| Compound Name | 2,2,9-Trimethyl-1,6-dioxaspiro[4.4]nona-3,8-diene |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H14O2/c1-8-4-7-11-10(8)6-5-9(2,3)12-10/h4-6H,7H2,1-3H3 |
| Smiles | CC1=CCOC12C=CC(O2)(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Salsoloides (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730070603