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ScientificNameLabel
3-methyl-2-butanol
PHCD compound ID : 4097
Chemical Names :
3-methyl-2-butanol
Molecular Formula : C5H12O1
Molecular Weight : 88.088815
More Details :
Names & Synonyms: 3-methylbutan-2-ol , 3-methyl-2-butanol
Smiles: C[C@H](C(C)C)O
InChi : InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1
InChi Key : InChIKey=MXLMTQWGSQIYOW-RXMQYKEDSA-N
PubChem ID : 11732
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.373768
Hydrogen bond donor count : 1 Electric dipole moment : 1.720
XLogP : 1.039 VDW volume : 103.826609
Molecular weight : 88.088815 HOMO-LUMO gap : 13.454000
Herb list :
Refrences & Litretures:
  
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
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