Skip Navigation Links
ScientificNameLabel
3-Methyloctadecane
PHCD compound ID : 4352
Chemical Names :
3-Methyloctadecane
Molecular Formula : C19H40
Molecular Weight : 268.313001
More Details :
Names & Synonyms: 3-methyloctadecane
Smiles: CCCCCCCCCCCCCCC[C@@H](CC)C
InChi : InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(3)5-2/h19H,4-18H2,1-3H3/t19-/m1/s1
InChi Key : InChIKey=PGZRTPKNSFMAOP-LJQANCHMSA-N
PubChem ID : 110905
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.636315
Hydrogen bond donor count : 0 Electric dipole moment : 0.037
XLogP : 11.09 VDW volume : 337.180167
Molecular weight : 268.313001 HOMO-LUMO gap : 14.444000
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