(2S,3R)-2-deca-2,9-dienyl-3-pent-2-enyloxirane
PubChem CID: 162950044
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | WNXISRDEAZBCKW-SJORKVTESA-N |
| Fcsp3 | 0.6470588235294118 |
| Rotatable Bond Count | 11.0 |
| Heavy Atom Count | 18.0 |
| Compound Name | (2S,3R)-2-deca-2,9-dienyl-3-pent-2-enyloxirane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 248.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.214 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 265.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 248.4 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,3R)-2-deca-2,9-dienyl-3-pent-2-enyloxirane |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Prediction Hob | 1.0 |
| Esol | -4.2577419999999995 |
| Inchi | InChI=1S/C17H28O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h3,6,11-13,16-17H,1,4-5,7-10,14-15H2,2H3/t16-,17+/m1/s1 |
| Smiles | CCC=CC[C@@H]1[C@@H](O1)CC=CCCCCCC=C |
| Xlogp | 5.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H28O |
- 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 - 3. Outgoing r'ship
FOUND_INto/from Hymenocallis Arenicola (Plant) Rel Props:Source_db:cmaup_ingredients