4a,8b,10b,11a-Tetramethylbicyclo[6.3.0]undec-1-en-5-one
PubChem CID: 5374611
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| Compound Synonyms | ORFFLMGQFXFMSQ-MLPAPPSSSA-N, 4a,8b,10b,11a-Tetramethylbicyclo[6.3.0]undec-1-en-5-one, 1,2,3a,7-Tetramethyl-1,2,3,3a,4,5,7,8-octahydro-6H-cyclopenta[a]cycloocten-6-one # |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z)-1,2,3a,7-tetramethyl-2,3,4,5,7,8-hexahydro-1H-cyclopenta[8]annulen-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ORFFLMGQFXFMSQ-MLPAPPSSSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.38 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.597 |
| Compound Name | 4a,8b,10b,11a-Tetramethylbicyclo[6.3.0]undec-1-en-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4616071999999996 |
| Inchi | InChI=1S/C15H24O/c1-10-5-6-13-12(3)11(2)9-15(13,4)8-7-14(10)16/h6,10-12H,5,7-9H2,1-4H3/b13-6- |
| Smiles | CC1C/C=C\2/C(C(CC2(CCC1=O)C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients