10-(Tetrahydro-pyran-2-yloxy)-tricyclo[4.2.1.1(2,5)]decan-9-ol
PubChem CID: 559088
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| Compound Synonyms | MHRBJRCWDSMUII-UHFFFAOYSA-N, 10-(Tetrahydro-pyran-2-yloxy)-tricyclo[4.2.1.1(2,5)]decan-9-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2C3CCC2C2CCC3C2)CC1 |
| Deep Smiles | OCCCCC5CCC7CC5)))OCCCCCO6 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Oxanes |
| Scaffold Graph Node Level | C1CCC(OC2C3CCC2C2CCC3C2)OC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 299.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-(oxan-2-yloxy)tricyclo[4.2.1.12,5]decan-9-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H24O3 |
| Scaffold Graph Node Bond Level | C1CCC(OC2C3CCC2C2CCC3C2)OC1 |
| Inchi Key | MHRBJRCWDSMUII-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 10-(tetrahydro-pyran-2-yloxy)-tricyclo[4.2.1(2,5)]decan-9-ol |
| Esol Class | Soluble |
| Functional Groups | CO, COC(C)OC |
| Compound Name | 10-(Tetrahydro-pyran-2-yloxy)-tricyclo[4.2.1.1(2,5)]decan-9-ol |
| Exact Mass | 252.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O3/c16-14-9-4-5-10(14)12-7-6-11(9)15(12)18-13-3-1-2-8-17-13/h9-16H,1-8H2 |
| Smiles | C1CCOC(C1)OC2C3CCC2C4CCC3C4O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Anisomeles Indica (Plant) Rel Props:Reference:https://doi.org/10.1016/j.bse.2011.12.017