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ScientificNameLabel
trans-linaloloxide
PHCD compound ID : 3897
Chemical Names :
trans-linaloloxide
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: [3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol , [3-methyl-3-(4-methylpent-3-enyl)-2-oxiranyl]methanol
Smiles: OC[C@H]1O[C@]1(C)CCC=C(C)C
InChi : InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h5,9,11H,4,6-7H2,1-3H3/t9-,10-/m1/s1
InChi Key : InChIKey=RZRBXGPSHVAUQO-NXEZZACHSA-N
PubChem ID : 530403
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.424363
Hydrogen bond donor count : 1 Electric dipole moment : 1.679
XLogP : 1.731 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.585000
Herb list :
Refrences & Litretures:
  
530.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'3840'      DOI:'10.1021/jf021187b'      Title:'Sensory and Instrumental Evaluation of Catnip (Nepeta cataria L.) Aroma'
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