6-[(2R)-5,5-dimethoxypentan-2-yl]-3,5-dimethyl-1-benzofuran
PubChem CID: 163038730
Connections displayed (default: 10).
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| Topological Polar Surface Area | 31.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 6-[(2R)-5,5-dimethoxypentan-2-yl]-3,5-dimethyl-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C17H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WDXBWIUZRQRAPT-LLVKDONJSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -5.003 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.537 |
| Compound Name | 6-[(2R)-5,5-dimethoxypentan-2-yl]-3,5-dimethyl-1-benzofuran |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 276.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1554312 |
| Inchi | InChI=1S/C17H24O3/c1-11(6-7-17(18-4)19-5)14-9-16-15(8-12(14)2)13(3)10-20-16/h8-11,17H,6-7H2,1-5H3/t11-/m1/s1 |
| Smiles | CC1=CC2=C(C=C1[C@H](C)CCC(OC)OC)OC=C2C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Lenis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Echinopsis Spachiana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Launaea Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Macrotomia Ugamensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Piptanthus Mongolicus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Piptanthus Nepalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Reichardia Gaditana (Plant) Rel Props:Source_db:cmaup_ingredients