(1R,2R,5R,7Z)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane
PubChem CID: 154496428
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2R,5R,7Z)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C14H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FMOZOFOCONBPNY-LJSAUVTESA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -4.478 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.026 |
| Compound Name | (1R,2R,5R,7Z)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 192.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9683452 |
| Inchi | InChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6-/t10-,12-,14+/m1/s1 |
| Smiles | C/C=C\1/C[C@H]2CC[C@H]([C@@]1(C2(C)C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients