1,2,3,4,4a,5,6,8a-Octahydro-naphthalene
PubChem CID: 565677
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| Compound Synonyms | 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene, dehydrodecaline, 4276-46-4, bicyclo[4.4.0]-2-decene, DTXSID90340568, FYHNWJNOEQBNGO-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| 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 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCC6)C=CCC6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCC2CCCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,3,4,4a,5,6,8a-octahydronaphthalene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16 |
| Scaffold Graph Node Bond Level | C1=CC2CCCCC2CC1 |
| Inchi Key | FYHNWJNOEQBNGO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,2,3,4,4a,5,6,8a-octahydronaphthalene |
| Esol Class | Soluble |
| Functional Groups | CC=CC |
| Compound Name | 1,2,3,4,4a,5,6,8a-Octahydro-naphthalene |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Gi Absorption | False |
| 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/C10H16/c1-2-6-10-8-4-3-7-9(10)5-1/h1,5,9-10H,2-4,6-8H2 |
| Smiles | C1CCC2C=CCCC2C1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Psidium Guajava (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.892840