Lilac aldehyde, (2S,2'R,5'S)-
PubChem CID: 16667664
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| Compound Synonyms | Lilac aldehyde C, (2S,2'R,5'S)-Lilac aldehyde, Lilac aldehyde, (2S,2'R,5'S)-, UNII-4TB943OJYT, 4TB943OJYT, FEMA No. 4058, (2S,2'R,5'S)-, 53447-48-6, DTXSID00201611, 2-Furanacetaldehyde, 5-ethenyltetrahydro-alpha,5-dimethyl-, (alphaS,2R,5S)-, 2-Furanacetaldehyde, 5-ethenyltetrahydro-alpha,5-dimethyl-, (2R-(2alpha(S*),5alpha))-, 2-FURANACETALDEHYDE, 5-ETHENYLTETRAHYDRO-.ALPHA.,5-DIMETHYL-, (.ALPHA.S,2R,5S)-, 2-FURANACETALDEHYDE, 5-ETHENYLTETRAHYDRO-.ALPHA.,5-DIMETHYL-, (2R-(2.ALPHA.(S*),5.ALPHA.))-, (2S)-2-((2R,5S)-5-ethenyl-5-methyloxolan-2-yl)propanal, (2S)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal, DTXCID30124102, Q27260466 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YPZQHCLBLRWNMJ-OPRDCNLKSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.163 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.038 |
| Compound Name | Lilac aldehyde, (2S,2'R,5'S)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 168.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 168.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6300632 |
| Inchi | InChI=1S/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3/t8-,9-,10-/m1/s1 |
| Smiles | C[C@H](C=O)[C@H]1CC[C@@](O1)(C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients