(7E,9E)-17-(furan-2-yl)heptadeca-7,9-dien-6-ol
PubChem CID: 5317146
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| Topological Polar Surface Area | 33.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7E,9E)-17-(furan-2-yl)heptadeca-7,9-dien-6-ol |
| Prediction Hob | 0.0 |
| Xlogp | 6.9 |
| Molecular Formula | C21H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJWDPOVZXYPCQL-PBCDPYBESA-N |
| Fcsp3 | 0.6190476190476191 |
| Logs | -4.159 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.505 |
| Compound Name | (7E,9E)-17-(furan-2-yl)heptadeca-7,9-dien-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 318.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.4048757652173895 |
| Inchi | InChI=1S/C21H34O2/c1-2-3-11-15-20(22)16-12-9-7-5-4-6-8-10-13-17-21-18-14-19-23-21/h7,9,12,14,16,18-20,22H,2-6,8,10-11,13,15,17H2,1H3/b9-7+,16-12+ |
| Smiles | CCCCCC(/C=C/C=C/CCCCCCCC1=CC=CO1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cipadessa Baccifera (Plant) Rel Props:Source_db:cmaup_ingredients