Decahydro-2-methoxynaphthalene
PubChem CID: 534246
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| Compound Synonyms | Decahydro-2-methoxynaphthalene, 55473-38-6, cis-Decalin, syn-2-methoxy-, 2-Methoxydecahydronaphthalene #, DTXSID20336515, VAZPVBLNVHSTHM-UHFFFAOYSA-N, DB-297144 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | COCCCCCC6)CCCC6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O |
| Scaffold Graph Node Bond Level | C1CCC2CCCCC2C1 |
| Inchi Key | VAZPVBLNVHSTHM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | decahydro-2-methoxynaphthalene |
| Esol Class | Soluble |
| Functional Groups | COC |
| Compound Name | Decahydro-2-methoxynaphthalene |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h9-11H,2-8H2,1H3 |
| Smiles | COC1CCC2CCCCC2C1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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