Dendocarbin H
PubChem CID: 10922891
Connections displayed (default: 10).
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| Compound Synonyms | Dendocarbin H, (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydrobenzo(e)(2)benzofuran-1,3-dione, (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione, CHEMBL471890, 350986-81-1 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C15H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVMXZQNUNOHEQW-RWSFTLGLSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.527 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.539 |
| Compound Name | Dendocarbin H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 248.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6979963999999996 |
| Inchi | InChI=1S/C15H20O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h5,10-11H,4,6-8H2,1-3H3/t10-,11+,15-/m0/s1 |
| Smiles | C[C@]12CCCC([C@@H]1CC=C3[C@@H]2C(=O)OC3=O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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