2-Butyl-1,4,7,2-trioxazonane
PubChem CID: 23727687
Connections displayed (default: 10).
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| Topological Polar Surface Area | 30.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-butyl-1,4,7,2-trioxazonane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Is Pains | False |
| Molecular Formula | C9H19NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HJNPVCRVPGAGPT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 2-Butyl-1,4,7,2-trioxazonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 189.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 189.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 189.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5335809999999994 |
| Inchi | InChI=1S/C9H19NO3/c1-2-3-4-10-9-12-6-5-11-7-8-13-10/h2-9H2,1H3 |
| Smiles | CCCCN1COCCOCCO1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Croton Megistocarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Geranium Sibiricum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lagerstroemia Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Persea Kusanoi (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Senecio Isatideus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:cmaup_ingredients