(4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-one
PubChem CID: 5318099
Connections displayed (default: 10).
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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 | 342.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZZYRTNAABNHZCH-UDKPHDTFSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.441 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.656 |
| Compound Name | (4E,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-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 | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.625507999999999 |
| Inchi | InChI=1S/C15H22O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10H,2,6-8,11H2,1,3-4H3/b10-5+,12-9- |
| Smiles | C/C/1=C/CC(/C=C/CC(=C)C(=O)CC1)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients