Skip Navigation Links
ScientificNameLabel
3-Methylhexadecane
PHCD compound ID : 4351
Chemical Names :
3-Methylhexadecane
Molecular Formula : C17H36
Molecular Weight : 240.281701
More Details :
Names & Synonyms: 3-methylhexadecane
Smiles: CCCCCCCCCCCCC[C@@H](CC)C
InChi : InChI=1S/C17H36/c1-4-6-7-8-9-10-11-12-13-14-15-16-17(3)5-2/h17H,4-16H2,1-3H3/t17-/m1/s1
InChi Key : InChIKey=WWPCLIMUTNKTDY-QGZVFWFLSA-N
PubChem ID : 93030
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.698513
Hydrogen bond donor count : 0 Electric dipole moment : 0.072
XLogP : 9.952 VDW volume : 302.588197
Molecular weight : 240.281701 HOMO-LUMO gap : 14.499000
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'
903.      Journal:'Chemistry of Natural Compounds'      Year:'2011'      Volume:'47'      Page:'646'      DOI:'10.1007/s10600-011-0020-4'      Title:'Constituent composition of essential oil from Cornus mas flowers'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us