Skip Navigation Links
ScientificNameLabel
2-Isopropyl -5-mthyl-(2-Z)-hexanal
PHCD compound ID : 3350
Chemical Names :
2-Isopropyl -5-mthyl-(2-Z)-hexanal
Molecular Formula : C10H20O1
Molecular Weight : 156.151415
More Details :
Names & Synonyms: 2-isopropyl-5-methyl-hexanal , 5-methyl-2-propan-2-ylhexanal , 5-methyl-2-propan-2-yl-hexanal
Smiles: O=C[C@H](C(C)C)CCC(C)C
InChi : InChI=1S/C10H20O/c1-8(2)5-6-10(7-11)9(3)4/h7-10H,5-6H2,1-4H3/t10-/m1/s1
InChi Key : InChIKey=STZPMOIAPWTLNJ-SNVBAGLBSA-N
PubChem ID : 3017702
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.849235
Hydrogen bond donor count : 0 Electric dipole moment : 2.866
XLogP : 4.172 VDW volume : 187.670073
Molecular weight : 156.151415 HOMO-LUMO gap : 10.725000
Herb list :
Refrences & Litretures:
  
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us