6,10-Dimethylundeca-5,9-Dien-2-One
PubChem CID: 19633
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| Compound Synonyms | 6,10-Dimethylundeca-5,9-dien-2-one, 689-67-8, Dihydropseudoionone, NSC 406679, 6,10-dimethyl-5,9-undecadiene-2-one, 6,10-Dimethyl-undeca-5,9-dien-2-one, 68228-05-7, EINECS 211-711-2, DTXSID1021586, neryl acetone, AI3-04987, MFCD00008910, Undecadien-2-one, 6,10-dimethyl-, (5E)-6,10-dimethyl-2-undeca-5,9-dienone, EC 211-711-2, CHEMBL3184326, AKOS028109451, FG39346, 2,6-dimethyl-2,6-undecadiene-10-one, 6,10-dimethyl- 2-oxo-5,9-undecadiene, SY048891, EU-0085571, Geranylacetone - mixture of E and Z isomers, NS00080000, 6,10-Dimethyl-5,9-undecadien-2-one ,mixture of isomers, 211-711-2 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04792, P19838 |
| Iupac Name | 6,10-dimethylundeca-5,9-dien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C13H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HNZUNIKWNYHEJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.6153846153846154 |
| Logs | -3.907 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.549 |
| Compound Name | 6,10-Dimethylundeca-5,9-Dien-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 | 1.0 |
| Esol | -2.9797716 |
| Inchi | InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3 |
| Smiles | CC(=CCCC(=CCCC(=O)C)C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Inula Helenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all