Humulane
PubChem CID: 5318100
Connections displayed (default: 10).
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| Compound Synonyms | Humulane, 1,1,4,8-tetramethylcycloundecane, 430-19-3, CHEBI:36523, DTXSID801319151, 1,1,4,8-tetramethylcycloundecane, humulane, Q27116870 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1,4,8-tetramethylcycloundecane |
| Prediction Hob | 1.0 |
| Xlogp | 7.1 |
| Molecular Formula | C15H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UTJJFHJHTZKQSW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.72 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.444 |
| Compound Name | Humulane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 210.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.623811 |
| Inchi | InChI=1S/C15H30/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h13-14H,5-12H2,1-4H3 |
| Smiles | CC1CCCC(CCC(CCC1)(C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rhododendron Dauricum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Mucronulatum (Plant) Rel Props:Source_db:cmaup_ingredients