8-(1-Methylethylidene)bicyclo[5.1.0]octane
PubChem CID: 535068
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| Compound Synonyms | 8-(1-Methylethylidene)bicyclo[5.1.0]octane, 54166-47-1, Bicyclo[5.1.0]octane, 8-(1-methylethylidene)-, DTXSID80336632, RAROQJZQARUXBD-UHFFFAOYSA-N, DB-307412, 8-(1-Methylethylidene)bicyclo[5.1.0]octane # |
|---|---|
| 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 | CC1C2CCCCCC12 |
| Deep Smiles | CC=CCC3CCCCC7))))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | CC1C2CCCCCC12 |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-propan-2-ylidenebicyclo[5.1.0]octane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H18 |
| Scaffold Graph Node Bond Level | C=C1C2CCCCCC12 |
| Inchi Key | RAROQJZQARUXBD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 8-(1-methylethylidene)bicyclo [5.1.0] octane |
| Esol Class | Soluble |
| Functional Groups | CC(C)=C1CC1 |
| Compound Name | 8-(1-Methylethylidene)bicyclo[5.1.0]octane |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| 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/C11H18/c1-8(2)11-9-6-4-3-5-7-10(9)11/h9-10H,3-7H2,1-2H3 |
| Smiles | CC(=C1C2C1CCCCC2)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Dittrichia Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.854486