Methyl 4-oxononanoate
PubChem CID: 5319748
Connections displayed (default: 10).
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| Compound Synonyms | Methyl 4-oxononanoate, SCHEMBL8660355, CHEBI:229169, AKOS010909244 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 164.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 4-oxononanoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C10H18O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IOSJUDSPZQHSKG-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.643 |
| Rotatable Bond Count | 8.0 |
| Logd | 1.494 |
| Compound Name | Methyl 4-oxononanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 186.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 186.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5881561999999998 |
| Inchi | InChI=1S/C10H18O3/c1-3-4-5-6-9(11)7-8-10(12)13-2/h3-8H2,1-2H3 |
| Smiles | CCCCCC(=O)CCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dryobalanops Aromatica (Plant) Rel Props:Source_db:cmaup_ingredients