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2,6-dimethyl-2,6-octadiene-1,8-diol
ScientificNameLabel
2,6-dimethyl-2,6-octadiene-1,8-diol
PHCD compound ID :
2941
Chemical Names :
2,6-dimethyl-2,6-octadiene-1,8-diol
Molecular Formula :
C10H18O2
Molecular Weight :
170.13068
More Details :
Names & Synonyms:
2,6-dimethylocta-2,6-diene-1,8-diol
Smiles:
OC/C=C(/CC/C=C(/CO)\C)\C
InChi :
InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+
InChi Key :
InChIKey=PREUOUJFXMCMSJ-TXFIJWAUSA-N
PubChem ID :
537558
Rotatable bond count :
5
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.556453
Hydrogen bond donor count :
2
Electric dipole moment :
3.908
XLogP :
0.643
VDW volume :
193.823841
Molecular weight :
170.13068
HOMO-LUMO gap :
10.309000
Herb list :
Turmeric - Curcuma longa - زرچوبه، زردچوبه
Refrences & Litretures:
371. Journal:'Pharmaceutical Crops' Year:'2011' Volume:'2' Page:'28' DOI:'' Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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