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ScientificNameLabel
hinesene
PHCD compound ID : 470
Chemical Names :
hinesene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (3R,5S,6S)-3-isopropenyl-6,10-dimethyl-spiro[4.5]dec-9-ene , (3R,5S,6S)-6,10-dimethyl-3-(1-methylethenyl)spiro[4.5]dec-9-ene , (3R,5S,6S)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene , (3R,5S,6S)-6,10-dimethyl-3-prop-1-en-2-yl-spiro[4.5]dec-9-ene
Smiles: CC(=C)[C@@H]1CC[C@]2(C1)[C@@H](C)CCC=C2C
InChi : InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15+/m0/s1
InChi Key : InChIKey=WEZDOYDDKIHCLM-RRFJBIMHSA-N
PubChem ID : 11310242
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.126506
Hydrogen bond donor count : 0 Electric dipole moment : 0.648
XLogP : 5.951 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.432000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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