Skip Navigation Links
ScientificNameLabel
4-Methylheptadecane
PHCD compound ID : 3959
Chemical Names :
4-Methylheptadecane
Molecular Formula : C18H38
Molecular Weight : 254.297351
More Details :
Names & Synonyms: 4-methylheptadecane
Smiles: CCCCCCCCCCCCC[C@@H](CCC)C
InChi : InChI=1S/C18H38/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(3)16-5-2/h18H,4-17H2,1-3H3/t18-/m1/s1
InChi Key : InChIKey=YPPNOYRCEQRCHY-GOSISDBHSA-N
PubChem ID : 520261
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.683034
Hydrogen bond donor count : 0 Electric dipole moment : 0.046
XLogP : 10.521 VDW volume : 319.884182
Molecular weight : 254.297351 HOMO-LUMO gap : 14.495000
Herb list :
Refrences & Litretures:
  
542.      Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech'      Year:'2015'      Volume:'320'      Page:'95'      DOI:''      Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us