(1S,2S)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one
PubChem CID: 101117096
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,2S)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTPOZFYJWLGJGH-LPXQKFACSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.742 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.296 |
| Compound Name | (1S,2S)-2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4302079999999995 |
| Inchi | InChI=1S/C15H22O/c1-9-8-10(16)12-13-11(9)15(12,4)7-5-6-14(13,2)3/h8,11-13H,5-7H2,1-4H3/t11-,12?,13?,15+/m1/s1 |
| Smiles | CC1=CC(=O)C2C3[C@@H]1[C@@]2(CCCC3(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients