(5R)-3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one
PubChem CID: 162928955
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 278.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5R)-3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C11H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DLESRUNXEOWSOI-JMEBYUIHSA-N |
| Fcsp3 | 0.5454545454545454 |
| Logs | -2.779 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.222 |
| Compound Name | (5R)-3-[(Z)-hex-1-enyl]-5-hydroxy-5-methylfuran-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 196.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2984251999999996 |
| Inchi | InChI=1S/C11H16O3/c1-3-4-5-6-7-9-8-11(2,13)14-10(9)12/h6-8,13H,3-5H2,1-2H3/b7-6-/t11-/m1/s1 |
| Smiles | CCCC/C=C\C1=C[C@](OC1=O)(C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Backhousia Citriodora (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Capraria Biflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Mentha Timija (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Senecio Macrocephalus (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Upuna Borneensis (Plant) Rel Props:Source_db:cmaup_ingredients