Naphthalene, decahydro-2,3-dimethyl-
PubChem CID: 13885
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Naphthalene, decahydro-2,3-dimethyl-, 1008-80-6, 2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene, 2,3-Dimethyldecahydronaphthalene, DECAHYDRO-2,3-DIMETHYLNAPHTHALENE, NSC 76667, NSC76667, DTXSID90858734, CHEBI:167409, UBGLIVPMNDOOTE-UHFFFAOYSA-N, 2,3-Dimethyldecahydronaphthalene #, Naphthalene,decahydro-2,3-dimethyl-, NSC-76667, DS-011988, 2-cis-3-Dimethyl-[cis-decahydronaphthalene], 2-trans-3-Dimethyl-[trans-decahydronaphthalene] |
|---|---|
| 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 | CCCCCCCCC6CC%10C |
| 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 | 2,3-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 | UBGLIVPMNDOOTE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,3-naphthalene decahydrodimethyl, naphthalene, decahydro-2,3-dimethyl- |
| Esol Class | Moderately soluble |
| Compound Name | Naphthalene, decahydro-2,3-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/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3 |
| Smiles | CC1CC2CCCCC2CC1C |
| 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