Skip Navigation Links
ScientificNameLabel
6-methylheptanol
PHCD compound ID : 2383
Chemical Names :
6-methylheptanol
Molecular Formula : C8H18O1
Molecular Weight : 130.135765
More Details :
Names & Synonyms: 6-methylheptan-1-ol , 6-methyl-1-heptanol
Smiles: OCCCCCC(C)C
InChi : InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChi Key : InChIKey=BWDBEAQIHAEVLV-UHFFFAOYSA-N
PubChem ID : 15450
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.530076
Hydrogen bond donor count : 1 Electric dipole moment : 2.105
XLogP : 3.066 VDW volume : 155.714562
Molecular weight : 130.135765 HOMO-LUMO gap : 13.431000
Herb list :
Refrences & Litretures:
  
264.      Journal:'J. Agric. Food Chem'      Year:'1990'      Volume:'38'      Page:'455'      DOI:''      Title:'Headspace Compounds from Flowers of Nicotiana tabacum and Related Species'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us