Skip Navigation Links
ScientificNameLabel
2-Methylhexane
PHCD compound ID : 4350
Chemical Names :
2-Methylhexane
Molecular Formula : C7H16
Molecular Weight : 100.125201
More Details :
Names & Synonyms: 2-methylhexane
Smiles: CCCCC(C)C
InChi : InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChi Key : InChIKey=GXDHCNNESPLIKD-UHFFFAOYSA-N
PubChem ID : 11582
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 10.921176
Hydrogen bond donor count : 0 Electric dipole moment : 0.095
XLogP : 4.262 VDW volume : 129.628351
Molecular weight : 100.125201 HOMO-LUMO gap : 14.976000
Herb list :
Refrences & Litretures:
  
642.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2005'      Volume:'8'      Page:'61'      DOI:'10.1080/0972060X.2005.10643422'      Title:'Essential Oil Composition of Echium amoenum Fisch. & C.A. Mey'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us