(8R)-8-(hydroxymethyl)-8-methyl-9,10-dihydropyrano[2,3-h]chromen-2-one
PubChem CID: 162895159
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 378.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-8-(hydroxymethyl)-8-methyl-9,10-dihydropyrano[2,3-h]chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C14H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YLYZOMTVOICJLY-CQSZACIVSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.164 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.557 |
| Compound Name | (8R)-8-(hydroxymethyl)-8-methyl-9,10-dihydropyrano[2,3-h]chromen-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 246.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 246.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8064355111111108 |
| Inchi | InChI=1S/C14H14O4/c1-14(8-15)7-6-10-11(18-14)4-2-9-3-5-12(16)17-13(9)10/h2-5,15H,6-8H2,1H3/t14-/m1/s1 |
| Smiles | C[C@@]1(CCC2=C(O1)C=CC3=C2OC(=O)C=C3)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Spinosum (Plant) Rel Props:Source_db:cmaup_ingredients