(7R)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
PubChem CID: 91753603
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| Compound Synonyms | ONKNPOPIGWHAQC-KIYNQFGBSA-N |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7R)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C18H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONKNPOPIGWHAQC-KIYNQFGBSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.223 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.323 |
| Compound Name | (7R)-4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 258.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.392795210526315 |
| Inchi | InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3/t11?,12-/m0/s1 |
| Smiles | C[C@H]1C(C2=C(C1(C)C)C=C3C(COCC3=C2)C)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients