(1S,2R,7S,8S)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecane
PubChem CID: 162870931
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 | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2R,7S,8S)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecane |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DQOVXHMHLOWECL-SFDCQRBFSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.565 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.663 |
| Compound Name | (1S,2R,7S,8S)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.162513399999999 |
| Inchi | InChI=1S/C15H24/c1-10-6-7-11-13-12(10)15(11,4)9-5-8-14(13,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1 |
| Smiles | C[C@@]12CCCC([C@H]3[C@@H]1CCC(=C)[C@@H]23)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Betle (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scapania Undulata (Plant) Rel Props:Source_db:cmaup_ingredients