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ScientificNameLabel
4-methylhexanol
PHCD compound ID : 2382
Chemical Names :
4-methylhexanol
Molecular Formula : C7H16O1
Molecular Weight : 116.120115
More Details :
Names & Synonyms: 4-methylhexan-1-ol , 4-methyl-1-hexanol
Smiles: OCCC[C@@H](CC)C
InChi : InChI=1S/C7H16O/c1-3-7(2)5-4-6-8/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChi Key : InChIKey=YNPVNLWKVZZBTM-SSDOTTSWSA-N
PubChem ID : 98346
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.482393
Hydrogen bond donor count : 1 Electric dipole moment : 1.760
XLogP : 2.497 VDW volume : 138.418578
Molecular weight : 116.120115 HOMO-LUMO gap : 13.380000
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'
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