(2R,3R)-2-hex-5-enyl-3-octa-2,5-dienyloxirane
PubChem CID: 163079348
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| Topological Polar Surface Area | 12.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 252.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2-hex-5-enyl-3-octa-2,5-dienyloxirane |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C16H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDGKUWWYKXNMRB-HZPDHXFCSA-N |
| Fcsp3 | 0.625 |
| Logs | -5.754 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.458 |
| Compound Name | (2R,3R)-2-hex-5-enyl-3-octa-2,5-dienyloxirane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 234.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.8209745999999987 |
| Inchi | InChI=1S/C16H26O/c1-3-5-7-9-10-12-14-16-15(17-16)13-11-8-6-4-2/h4-5,7,10,12,15-16H,2-3,6,8-9,11,13-14H2,1H3/t15-,16-/m1/s1 |
| Smiles | CCC=CCC=CC[C@@H]1[C@H](O1)CCCCC=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalea Elegans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euonymus Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients