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Linalool oxide trans-pyranoid
PHCD compound ID : 861
Chemical Names :
Linalool oxide trans-pyranoid
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: (3S,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-ol , (3S,6R)-6-ethenyl-2,2,6-trimethyl-3-oxanol , (3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol , (3S,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-ol
Smiles: C=C[C@@]1(C)CC[C@@H](C(O1)(C)C)O
InChi : InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10-/m0/s1
InChi Key : InChIKey=BCTBAGTXFYWYMW-WPRPVWTQSA-N
PubChem ID : 6428300
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.671715
Hydrogen bond donor count : 1 Electric dipole moment : 0.420
XLogP : 1.559 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.836000
Herb list :
Refrences & Litretures:
  
71.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'131'      DOI:'10.1016/j.foodchem.2004.05.056'      Title:'Identi?cation of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties'
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