Secondary metabolite:2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol



EOCID003353
Summary

sCentInDB Chemical identifier: EOCID003353

Chemical name: 2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol

Molecular formula: C10H18O2

SMILES: C=C[C@]1(C)CC[C@@H](O1)C(O)(C)C

InChI: InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m1/s1

InChIKey: BRHDDEIRQPDPMG-PSASIEDQSA-N

Chemical classification

Kingdom: Organic compounds

Superclass: Organoheterocyclic compounds

Class: Tetrahydrofurans

Subclass:

Synonymous chemical name(s):
cis-linalool oxide (furanoid), (z)-linalool oxide (furanoid), cis-linalooloxide (furanoid), cis-linalool oxide, cis-linalool oxide(furanoid), (z)-linalool oxide(furanoid), cis-linalol oxide (furanoid), (z)-linalool oxide, cis linalool oxide, (z)-linalool furanoid form, cis-linalol oxide fur., (z)-linalol oxide (furanoid), (z)linalool oxide (furan), cis-linaloloxide, linalool oxide (furanoid), cis-linalol oxide ( furanoid), linalol oxide furanoid, linalooloxide b, (z)-thujone

External chemical identifier(s):
CID:6428573, CHEMBL2252948, CHEBI:132839, CHEMSPIDER:4933975, ZINC000000391156, FDASRS:2U90CGE5DT, SURECHEMBL:SCHEMBL111540

Spectrabase ID: 76G3FiQl2nn

Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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