(6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one
PubChem CID: 5320333
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| Compound Synonyms | 9-Oxonerolidol, (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one, 10-Hydroxy-2,6,10-trimethyl-2,6,11-dodeca-4-one, 54877-97-3, SCHEMBL2021699, 58865-88-6, HY-N11121, DA-69434, CS-0639017, Hydroxy-2,6,10-trimethyl-2,6,11-dodeca-4-one |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NYBCPVODSGRKRC-MDWZMJQESA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -0.631 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.739 |
| Compound Name | (6E)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.1555009999999997 |
| Inchi | InChI=1S/C15H24O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,17H,1,7,9,11H2,2-5H3/b13-8+ |
| Smiles | CC(=CC(=O)C/C(=C/CCC(C)(C=C)O)/C)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alstonia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients