cis-Hydrindane
PubChem CID: 643587
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| Compound Synonyms | cis-hydrindane, 4551-51-3, cis-Hexahydroindan, cis-Hydrindan, cis-Bicyclo[4.3.0]Nonane, cis-Perhydroindene, cis-Octahydro-1H-indene, 1H-Indene, octahydro-, cis-, (3aR,7aS)-octahydro-1H-indene, Octahydro-1H-indene, cis-, Indan, hexahydro-, cis-, 8SZ801C84W, CIS-BICYCLO(4.3.0)NONANE, (3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene, CHEBI:49306, DTXSID401020887, 1H-INDENE, OCTAHYDRO-, (3AR,7AS)-REL-, cisBicyclononane, UNII-8SZ801C84W, cis-Hexahydroindane, CIS-PERHYDROINDAN, Octahydro-1H-indene, cis, Indene, octahydro-, cis-, BNRNAKTVFSZAFA-DTORHVGOSA-N, DTXCID301505925, 3296-50-2, BCP15250, MFCD00085357, CS-0452648, H0504, T72488, Q27121610, 679-906-9 |
|---|---|
| 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 | C1CCC2CCCC2C1 |
| Deep Smiles | CCC[C@H][C@@H]C6)CCC5 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCC2CCCC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.2 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16 |
| Scaffold Graph Node Bond Level | C1CCC2CCCC2C1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNRNAKTVFSZAFA-DTORHVGOSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -3.884 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.084 |
| Synonyms | cis-octahydro-1h-indene |
| Esol Class | Soluble |
| Compound Name | cis-Hydrindane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 124.22 |
| 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 |
| Esol | -3.1806074 |
| Inchi | InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+ |
| Smiles | C1CC[C@H]2CCC[C@H]2C1 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Asystasia Gangetica (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2011.10643975 - 2. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all