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ScientificNameLabel
alpha-E-acaridial
PHCD compound ID : 4616
Chemical Names :
alpha-E-acaridial
Molecular Formula : C10H14O2
Molecular Weight : 166.09938
More Details :
Names & Synonyms: (E)-2-(4-methylpent-3-enyl)but-2-enedial , (E)-2-(4-methylpent-3-enyl)-2-butenedial
Smiles: O=C/C=C(\CCC=C(C)C)/C=O
InChi : InChI=1S/C10H14O2/c1-9(2)4-3-5-10(8-12)6-7-11/h4,6-8H,3,5H2,1-2H3/b10-6+
InChi Key : InChIKey=RZUYNBNUYOKGPO-UXBLZVDNSA-N
PubChem ID : 6442437
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.536424
Hydrogen bond donor count : 0 Electric dipole moment : 0.841
XLogP : 1.749 VDW volume : 188.550924
Molecular weight : 166.09938 HOMO-LUMO gap : 9.068000
Herb list :
Refrences & Litretures:
  
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
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