(1S,3R,6R,7R,8R)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane
PubChem CID: 10889020
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,3R,6R,7R,8R)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QQWUXXGYAQMTAT-COWZWYNKSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.095 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.516 |
| Compound Name | (1S,3R,6R,7R,8R)-3,6,8-trimethyl-2-methylidenetricyclo[5.3.1.03,8]undecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3074134 |
| Inchi | InChI=1S/C15H24/c1-10-5-7-14(3)11(2)12-6-8-15(14,4)13(10)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13-,14-,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@@]2(C(=C)[C@H]3CC[C@@]2([C@@H]1C3)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients