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1-Oxaspiro[2.5]octane,5,5-dimethyl-4-(3-methyl-1,3-butadienyl)-
PHCD compound ID : 3901
Chemical Names :
1-Oxaspiro[2.5]octane,5,5-dimethyl-4-(3-methyl-1,3-butadienyl)-
Molecular Formula : C14H22O1
Molecular Weight : 206.167065
More Details :
Names & Synonyms: 5,5-dimethyl-4-[(1E)-3-methylbuta-1,3-dienyl]-1-oxaspiro[2.5]octane
Smiles: CC(=C)/C=C/[C@H]1C(C)(C)CCC[C@]21OC2
InChi : InChI=1S/C14H22O/c1-11(2)6-7-12-13(3,4)8-5-9-14(12)10-15-14/h6-7,12H,1,5,8-10H2,2-4H3/b7-6+/t12-,14-/m0/s1
InChi Key : InChIKey=HQWBEAAZOBOEBO-UTTOWCGFSA-N
PubChem ID : 5362888
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.040246
Hydrogen bond donor count : 0 Electric dipole moment : 2.821
XLogP : 4.328 VDW volume : 229.504635
Molecular weight : 206.167065 HOMO-LUMO gap : 9.425000
Herb list :
Refrences & Litretures:
  
532.      Journal:'J PURE APPL MICROBIO'      Year:'2013'      Volume:'7'      Page:'379'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Ziziphus jujuba Seeds Extract'
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