Daibuoxide
PubChem CID: 70698111
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Daibuoxide, CHEBI:69072, Q27137412 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 338.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1S,2R,3S,7S,8S)-3,8,10,10-tetramethyl-9-oxatricyclo[6.2.2.02,7]dodecan-7-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IMOIQZWBHGLKFZ-QIRZIZBZSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Daibuoxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0504001999999995 |
| Inchi | InChI=1S/C15H26O2/c1-10-6-5-8-15(16)12(10)11-7-9-14(15,4)17-13(11,2)3/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14-,15-/m0/s1 |
| Smiles | C[C@H]1CCC[C@@]2([C@H]1[C@@H]3CC[C@@]2(OC3(C)C)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Neolitsea Daibuensis (Plant) Rel Props:Source_db:cmaup_ingredients