5-Undecyl-1,3-benzodioxole
PubChem CID: 5315124
Connections displayed (default: 10).
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| Topological Polar Surface Area | 18.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-undecyl-1,3-benzodioxole |
| Prediction Hob | 1.0 |
| Xlogp | 7.6 |
| Molecular Formula | C18H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WPKSHCKNVIUZMF-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -8.04 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.849 |
| Compound Name | 5-Undecyl-1,3-benzodioxole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 276.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.878604 |
| Inchi | InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-16-12-13-17-18(14-16)20-15-19-17/h12-14H,2-11,15H2,1H3 |
| Smiles | CCCCCCCCCCCC1=CC2=C(C=C1)OCO2 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Longum (Plant) Rel Props:Source_db:cmaup_ingredients