Epoxy-linalooloxide
PubChem CID: 537453
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| Compound Synonyms | Epoxy-linalooloxide, Linalooldioxyd, SCHEMBL11557362, WNUGGHMAJKRDQE-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(3,3-dimethyloxiran-2-yl)-2-(oxiran-2-yl)butan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C10H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNUGGHMAJKRDQE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.656 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.888 |
| Compound Name | Epoxy-linalooloxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 186.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0520561999999998 |
| Inchi | InChI=1S/C10H18O3/c1-9(2)7(13-9)4-5-10(3,11)8-6-12-8/h7-8,11H,4-6H2,1-3H3 |
| Smiles | CC1(C(O1)CCC(C)(C2CO2)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nelumbo Nucifera (Plant) Rel Props:Source_db:cmaup_ingredients