(1S,2S,5R,8R)-2,5,8-trimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane
PubChem CID: 101622047
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,5R,8R)-2,5,8-trimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPKLYXVMHOVJJL-MYPMTAMASA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.043 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.543 |
| Compound Name | (1S,2S,5R,8R)-2,5,8-trimethyl-6-methylidenetricyclo[6.3.0.01,5]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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3515134 |
| Inchi | InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@]2([C@@]13CCC[C@@]3(CC2=C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Griffithii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Exotica (Plant) Rel Props:Source_db:cmaup_ingredients