Bicycloheptane
PubChem CID: 141010
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| Compound Synonyms | Bicycloheptane, Cycloheptylcycloheptane, Bicycloheptyl, 1,1'-Bicycloheptyl, 1,1'-Bi(cycloheptane), 12622-04-7, 23183-11-1, ARUKYTASOALXFG-UHFFFAOYSA-, DTXSID10177757, AKOS006277186, InChI=1/C14H26/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h13-14H,1-12H2 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cycloheptylcycloheptane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Is Pains | False |
| Molecular Formula | C14H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ARUKYTASOALXFG-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Bicycloheptane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.203 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 194.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 194.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2567444 |
| Inchi | InChI=1S/C14H26/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h13-14H,1-12H2 |
| Smiles | C1CCCC(CC1)C2CCCCCC2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients