Naphthalene, decahydro-2,6-dimethyl-
PubChem CID: 15379
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| Compound Synonyms | 2,6-Dimethyldecalin, 1618-22-0, Naphthalene, decahydro-2,6-dimethyl-, Decahydro-2,6-dimethylnaphthalene, 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene, DTXSID30880791, 2,6Dimethyldecalin, 2,6-dimethyl-decahydronaphthalene, DTXCID301022147, 2,6-Dimethyldecahydronaphthalene #, NS00096222 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Deep Smiles | CCCCCCC6)CCCC6)C |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22 |
| Scaffold Graph Node Bond Level | C1CCC2CCCCC2C1 |
| Inchi Key | XNOHNIPVHGINQP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,6-naphthalene decahydrodimethyl |
| Esol Class | Moderately soluble |
| Compound Name | Naphthalene, decahydro-2,6-dimethyl- |
| Exact Mass | 166.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 166.3 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H22/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h9-12H,3-8H2,1-2H3 |
| Smiles | CC1CCC2CC(CCC2C1)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644099