4,10,11,11-Tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-3-one
PubChem CID: 12308614
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| Compound Synonyms | Cyperotundone, 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one, 4,10,11,11-tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-3-one, CHEBI:81137, C17501, Q27155094 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GIGKXOAUYMWORB-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -5.142 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.25 |
| Compound Name | 4,10,11,11-Tetramethyltricyclo[5.3.1.0^{1,5}]undec-4-en-3-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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3357079999999995 |
| Inchi | InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3 |
| Smiles | CC1CCC2CC3=C(C(=O)CC13C2(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients