(1S,2S,5R,8R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecan-8-ol
PubChem CID: 101698415
Connections displayed (default: 10).
Loading graph...
| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3CCC3C(C1)C2 |
| Np Classifier Class | Caryolane sesquiterpenoids |
| Deep Smiles | O[C@@]CCC[C@]C6)C)[C@@H][C@@H]CC9))CC4)C)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CC2CCC3CCC3C(C1)C2 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,5R,8R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecan-8-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H26O |
| Scaffold Graph Node Bond Level | C1CC2CCC3CCC3C(C1)C2 |
| Inchi Key | BEWUVKDSNDTXGX-PAPYEOQZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | caryolan-4-ol |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | (1S,2S,5R,8R)-1,4,4-trimethyltricyclo[6.3.1.02,5]dodecan-8-ol |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H26O/c1-13(2)9-12-11(13)5-8-15(16)7-4-6-14(12,3)10-15/h11-12,16H,4-10H2,1-3H3/t11-,12+,14+,15-/m1/s1 |
| Smiles | C[C@]12CCC[C@](C1)(CC[C@@H]3[C@@H]2CC3(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Polyalthia Longifolia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3215