(1S,6R,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
PubChem CID: 12305666
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 | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,6R,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCJQJJWNFDNQGZ-YUELXQCFSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.237 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.066 |
| Compound Name | (1S,6R,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2003134 |
| Inchi | InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14-,15+/m1/s1 |
| Smiles | CC1=CCC[C@]2([C@]13CC[C@@H]2C(C3)(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atropa Belladonna (Plant) Rel Props:Source_db:cmaup_ingredients