6,10-Dimethylundecadien-2-one
PubChem CID: 14619638
Connections displayed (default: 10).
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| Compound Synonyms | 6,10-Dimethylundecadien-2-one, (E),(Z)-pseudoionone, SCHEMBL6550351, HBZBROBMQHJIBO-KOOBJXAQSA-N, HBZBROBMQHJIBO-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-6,10-dimethylundeca-3,5-dien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C13H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HBZBROBMQHJIBO-KOOBJXAQSA-N |
| Fcsp3 | 0.6153846153846154 |
| Logs | -3.092 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.851 |
| Compound Name | 6,10-Dimethylundecadien-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 194.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.3892716 |
| Inchi | InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6,9-11H,5,7-8H2,1-4H3/b10-6+,12-9+ |
| Smiles | CC(C)CCC/C(=C/C=C/C(=O)C)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients