(3E,6S,7E,9E)-17-(furan-2-yl)heptadeca-3,7,9-trien-6-ol
PubChem CID: 162975231
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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 | 344.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3E,6S,7E,9E)-17-(furan-2-yl)heptadeca-3,7,9-trien-6-ol |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C21H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GTXGAFVOCLTKJL-CBJDEKPLSA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -4.653 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.507 |
| Compound Name | (3E,6S,7E,9E)-17-(furan-2-yl)heptadeca-3,7,9-trien-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 316.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -5.099276565217389 |
| Inchi | InChI=1S/C21H32O2/c1-2-3-11-15-20(22)16-12-9-7-5-4-6-8-10-13-17-21-18-14-19-23-21/h3,7,9,11-12,14,16,18-20,22H,2,4-6,8,10,13,15,17H2,1H3/b9-7+,11-3+,16-12+/t20-/m0/s1 |
| Smiles | CC/C=C/C[C@@H](/C=C/C=C/CCCCCCCC1=CC=CO1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cipadessa Baccifera (Plant) Rel Props:Source_db:cmaup_ingredients