2-[(1S)-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-5-methylfuran
PubChem CID: 163193586
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| Topological Polar Surface Area | 22.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 2-[(1S)-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-5-methylfuran |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C14H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RZQBBGYIEUNQIV-BNOWGMLFSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -4.351 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.954 |
| Compound Name | 2-[(1S)-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]ethyl]-5-methylfuran |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 220.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3118844000000003 |
| Inchi | InChI=1S/C14H20O2/c1-5-14(4)9-8-13(16-14)11(3)12-7-6-10(2)15-12/h5-7,11,13H,1,8-9H2,2-4H3/t11-,13-,14+/m1/s1 |
| Smiles | CC1=CC=C(O1)[C@@H](C)[C@H]2CC[C@](O2)(C)C=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nidema Boothii (Plant) Rel Props:Source_db:cmaup_ingredients