Bicyclo[6.1.0]nonane
PubChem CID: 136124
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| Compound Synonyms | Bicyclo[6.1.0]nonane, Bicyclo(6.1.0)nonane, 13757-43-2, 286-60-2, trans-(+)-Bicyclo-(6.1.0)nonane, DTXSID50929833, FYECUAIUGWFPJF-UHFFFAOYSA-N, 39124-79-3 |
|---|---|
| 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 | C1CCCC2CC2CC1 |
| Deep Smiles | CCCCCCCC8))C3 |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCCC2CC2CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bicyclo[6.1.0]nonane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16 |
| Scaffold Graph Node Bond Level | C1CCCC2CC2CC1 |
| Inchi Key | FYECUAIUGWFPJF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | bicyclo [6.1.0] nonane |
| Esol Class | Soluble |
| Compound Name | Bicyclo[6.1.0]nonane |
| 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 |
| Inchi | InChI=1S/C9H16/c1-2-4-6-9-7-8(9)5-3-1/h8-9H,1-7H2 |
| Smiles | C1CCCC2CC2CC1 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1491331