(1R,2S,6R,7R)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID: 102587995
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 | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2S,6R,7R)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZGKPBXWQOYDEMA-QHSBEEBCSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.455 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.607 |
| Compound Name | (1R,2S,6R,7R)-2,6-dimethyl-3-propan-2-yltricyclo[5.2.1.02,6]dec-3-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 | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0209133999999995 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3/t11-,12-,14-,15-/m1/s1 |
| Smiles | CC(C)C1=CC[C@]2([C@@]1([C@@H]3CC[C@@H]2C3)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients