(2R)-6-methyl-2-[(Z)-nonadec-10-enyl]-2,3-dihydropyran-4-one
PubChem CID: 162982582
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-6-methyl-2-[(Z)-nonadec-10-enyl]-2,3-dihydropyran-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 9.4 |
| Molecular Formula | C25H44O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BWJGPBYNCWFMBW-VBKSFVIKSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.714 |
| Rotatable Bond Count | 17.0 |
| Logd | 4.014 |
| Compound Name | (2R)-6-methyl-2-[(Z)-nonadec-10-enyl]-2,3-dihydropyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.334 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.334 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 376.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.962475000000001 |
| Inchi | InChI=1S/C25H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22-24(26)21-23(2)27-25/h10-11,21,25H,3-9,12-20,22H2,1-2H3/b11-10-/t25-/m1/s1 |
| Smiles | CCCCCCCC/C=C\CCCCCCCCC[C@@H]1CC(=O)C=C(O1)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients