(4E)-8-methylnona-4,7-dien-3-one
PubChem CID: 5319674
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E)-8-methylnona-4,7-dien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFGBSMZKZAHNKE-SOFGYWHQSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.514 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.63 |
| Compound Name | (4E)-8-methylnona-4,7-dien-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2838693999999995 |
| Inchi | InChI=1S/C10H16O/c1-4-10(11)8-6-5-7-9(2)3/h6-8H,4-5H2,1-3H3/b8-6+ |
| Smiles | CCC(=O)/C=C/CC=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curculigo Orchioides (Plant) Rel Props:Source_db:cmaup_ingredients