1-Methyl-5-propan-2-yl-3,6,7-trioxatricyclo[3.2.2.02,4]nonane
PubChem CID: 584498
Connections displayed (default: 10).
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| Compound Synonyms | OBKUFMIGIUQZRU-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 31.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-5-propan-2-yl-3,6,7-trioxatricyclo[3.2.2.02,4]nonane |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBKUFMIGIUQZRU-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.237 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.767 |
| Compound Name | 1-Methyl-5-propan-2-yl-3,6,7-trioxatricyclo[3.2.2.02,4]nonane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9305569999999996 |
| Inchi | InChI=1S/C10H16O3/c1-6(2)10-5-4-9(3,12-13-10)7-8(10)11-7/h6-8H,4-5H2,1-3H3 |
| Smiles | CC(C)C12CCC(C3C1O3)(OO2)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients