(1S,3S,4S,5R,7S,8R,11S)-4,7,8,11-tetramethyltetracyclo[5.4.0.03,5.04,8]undecane
PubChem CID: 102090480
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| Compound Synonyms | 52617-34-2, DTXSID501316815 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,3S,4S,5R,7S,8R,11S)-4,7,8,11-tetramethyltetracyclo[5.4.0.03,5.04,8]undecane |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPWRIXBORAHMCD-GALFJALPSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.003 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.367 |
| Compound Name | (1S,3S,4S,5R,7S,8R,11S)-4,7,8,11-tetramethyltetracyclo[5.4.0.03,5.04,8]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 | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2633133999999995 |
| Inchi | InChI=1S/C15H24/c1-9-5-6-14(3)13(2)8-12-11(7-10(9)13)15(12,14)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12+,13-,14+,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@@]2([C@@]3([C@H]1C[C@@H]4[C@]2([C@@H]4C3)C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients