Skip Navigation Links
ScientificNameLabel
Hexahydropseudoionone
PHCD compound ID : 3620
Chemical Names :
Hexahydropseudoionone , 6,10-dimethyl-2-undecane
Molecular Formula : C13H26O1
Molecular Weight : 198.198365
More Details :
Names & Synonyms: 6,10-dimethylundecan-2-one , 6,10-dimethyl-2-undecanone
Smiles: C[C@H](CCCC(=O)C)CCCC(C)C
InChi : InChI=1S/C13H26O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-12H,5-10H2,1-4H3/t12-/m0/s1
InChi Key : InChIKey=RBGLEUBCAJNCTR-LBPRGKRZSA-N
PubChem ID : 95495
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 10.080838
Hydrogen bond donor count : 0 Electric dipole moment : 3.121
XLogP : 5.437 VDW volume : 239.558027
Molecular weight : 198.198365 HOMO-LUMO gap : 11.051000
Herb list :
Refrences & Litretures:
  
505.      Journal:'Microchemical Journal'      Year:'2009'      Volume:'93'      Page:'140'      DOI:'10.1016/j.microc.2009.05.011'      Title:'Evolution of Brassica rapa var. rapa L. volatile composition by HS-SPME and GC/IT-MS'
527.      Journal:'International Scholarly Research Network'      Year:'2012'      Volume:''      Page:'591953'      DOI:'10.5402/2012/591953'      Title:'Chemical Composition and Antimicrobial Activities of Essential Oils from Nepeta cataria L. against Common Causes of Food-Borne Infections'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us