(6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one
PubChem CID: 162843826
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C20H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDDXFQXJFFBYPQ-GOCHRTQFSA-N |
| Fcsp3 | 0.65 |
| Logs | -4.737 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.431 |
| Compound Name | (6S,10E,14S)-14-hydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.384738 |
| Inchi | InChI=1S/C20H34O2/c1-7-20(6,22)15-9-11-17(4)10-8-12-18(5)19(21)14-13-16(2)3/h7,11,13,18,22H,1,8-10,12,14-15H2,2-6H3/b17-11+/t18-,20+/m0/s1 |
| Smiles | C[C@@H](CCC/C(=C/CC[C@@](C)(C=C)O)/C)C(=O)CC=C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dicranopteris Pedata (Plant) Rel Props:Source_db:cmaup_ingredients