(S)-5-dodecyldihydrofuran-2(3H)-one
PubChem CID: 97041977
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| Compound Synonyms | (S)-5-dodecyldihydrofuran-2(3H)-one |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 213.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-dodecyloxolan-2-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Is Pains | False |
| Molecular Formula | C16H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SRIFJCOBFTWCTM-HNNXBMFYSA-N |
| Fcsp3 | 0.9375 |
| Rotatable Bond Count | 11.0 |
| Compound Name | (S)-5-dodecyldihydrofuran-2(3H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.225 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 254.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 254.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.452466799999999 |
| Inchi | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h15H,2-14H2,1H3/t15-/m0/s1 |
| Smiles | CCCCCCCCCCCC[C@H]1CCC(=O)O1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Source_db:cmaup_ingredients