Hexadecahydrocyclobuta[1,2:3,4]dicyclooctene
PubChem CID: 557601
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| Compound Synonyms | 18208-94-1, Hexadecahydrocyclobuta[1,2:3,4]dicyclooctene, tricyclo[8.6.0.02,9]hexadecane, VJCXJWHLSRMECV-UHFFFAOYSA-N, Cyclobuta[1,2:3,4]dicyclooctene, hexadecahydro-, (6a.alpha.,6b.alpha.,12a.beta.,12b.beta.)- |
|---|---|
| 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 | C1CCCC2C(CC1)C1CCCCCCC21 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCCCC8)CC4CCCCCC8 |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Polycyclic hydrocarbons |
| Scaffold Graph Node Level | C1CCCC2C(CC1)C1CCCCCCC21 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tricyclo[8.6.0.02,9]hexadecane |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 7.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H28 |
| Scaffold Graph Node Bond Level | C1CCCC2C(CC1)C1CCCCCCC21 |
| Inchi Key | VJCXJWHLSRMECV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | cyclobuta [1,2,3,4] dicyclooctene,hexadecahydro |
| Esol Class | Moderately soluble |
| Compound Name | Hexadecahydrocyclobuta[1,2:3,4]dicyclooctene |
| Exact Mass | 220.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 220.39 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H28/c1-2-6-10-14-13(9-5-1)15-11-7-3-4-8-12-16(14)15/h13-16H,1-12H2 |
| Smiles | C1CCCC2C(CC1)C3C2CCCCCC3 |
| 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 Eryngium Caeruleum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895186