(S)-4-Nonanolide
PubChem CID: 441574
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| Compound Synonyms | (S)-4-Nonanolide, (5S)-5-pentyloxolan-2-one, 63357-97-1, (5S)-5-pentyl-2-oxolanone, (5S)-5-pentyltetrahydrofuran-2-one, (S)-5-Pentyldihydrofuran-2(3H)-one, (S)-4-NONANOLIDE STANDARD FOR GC, AC1L9BCA, g-Nonalactone, (S)-Dihydro-5-pentyl-2(3H)-furanone, (S)-gamma-nonalactone, SureCN1358227, SCHEMBL1358227, CHEBI:10575, MFCD01863094, AKOS015915501, (5S)-dihydro-5-pentyl-2(3H)-furanone, NS00010731, C08501, A801013, Q27108659 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-pentyloxolan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C9H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OALYTRUKMRCXNH-QMMMGPOBSA-N |
| Fcsp3 | 0.8888888888888888 |
| Logs | -3.05 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.826 |
| Compound Name | (S)-4-Nonanolide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9179950000000001 |
| Inchi | InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1 |
| Smiles | CCCCC[C@H]1CCC(=O)O1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clematis Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients