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ScientificNameLabel
Lilac alcohol A
PHCD compound ID : 5345
Chemical Names :
Lilac alcohol A
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: 2-(5-methyl-5-vinyl-tetrahydrofuran-2-yl)propan-1-ol , 2-(5-ethenyl-5-methyl-2-oxolanyl)-1-propanol , 2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol , 2-(5-ethenyl-5-methyl-oxolan-2-yl)propan-1-ol
Smiles: OC[C@@H]([C@@H]1CC[C@](O1)(C)C=C)C
InChi : InChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-,10-/m0/s1
InChi Key : InChIKey=VUEGXHXUMOZKKN-GUBZILKMSA-N
PubChem ID : 526973
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.728802
Hydrogen bond donor count : 1 Electric dipole moment : 2.853
XLogP : 1.337 VDW volume : 184.103841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.803000
Herb list :
Refrences & Litretures:
  
873.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2017'      Volume:'20'      Page:'1137'      DOI:'10.1080/0972060X.2017.1359681'      Title:'Essential Oil Composition of Tilia cordata Flowers'
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