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2.4a-Methanonaphthalen-7(4aH)-one.1.2.3.4.5.6-hexahydro-1.1.5.5-tetramethyl-.(2s-cis)-
PHCD compound ID : 3784
Chemical Names :
2.4a-Methanonaphthalen-7(4aH)-one.1.2.3.4.5.6-hexahydro-1.1.5.5-tetramethyl-.(2s-cis)-
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms:
Smiles: O=C1C=C2C(C)(C)[C@@H]3C[C@@]2(C(C1)(C)C)CC3
InChi : InChI=1S/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3/t10-,15-/m0/s1
InChi Key : InChIKey=LGSKOQUJWNADCQ-BONVTDFDSA-N
PubChem ID : 90971
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.690046
Hydrogen bond donor count : 0 Electric dipole moment : 4.619
XLogP : 4.106 VDW volume : 234.444161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.813000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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