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ScientificNameLabel
cis-Dehydroxylinalool oxide
PHCD compound ID : 4802
Chemical Names :
cis-Dehydroxylinalool oxide
Molecular Formula : C10H16O1
Molecular Weight : 152.120115
More Details :
Names & Synonyms: (2R,5S)-5-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran , (2R,5S)-2-ethenyl-2-methyl-5-(1-methylethenyl)oxolane , (2R,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane , (2R,5S)-2-ethenyl-2-methyl-5-prop-1-en-2-yl-oxolane
Smiles: C=C[C@@]1(C)CC[C@H](O1)C(=C)C
InChi : InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3/t9-,10-/m0/s1
InChi Key : InChIKey=XIGFNCYVSHOLIF-UWVGGRQHSA-N
PubChem ID : 21576892
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.609290
Hydrogen bond donor count : 0 Electric dipole moment : 1.757
XLogP : 1.923 VDW volume : 172.677156
Molecular weight : 152.120115 HOMO-LUMO gap : 10.657000
Herb list :
Refrences & Litretures:
  
775.      Journal:'J. BioSci. Biotech'      Year:'2013'      Volume:'2'      Page:'39'      DOI:''      Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
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