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ScientificNameLabel
3-methylpentanol
PHCD compound ID : 662
Chemical Names :
3-methyl-1-pentanol , 3-methylpentanol
Molecular Formula : C6H14O1
Molecular Weight : 102.104465
More Details :
Names & Synonyms: 3-methylpentan-1-ol , 3-methyl-1-pentanol
Smiles: OCC[C@@H](CC)C
InChi : InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChi Key : InChIKey=IWTBVKIGCDZRPL-ZCFIWIBFSA-N
PubChem ID : 11508
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.447158
Hydrogen bond donor count : 1 Electric dipole moment : 2.078
XLogP : 1.928 VDW volume : 121.122593
Molecular weight : 102.104465 HOMO-LUMO gap : 13.404000
Herb list :
Refrences & Litretures:
  
40.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'5408'      DOI:'10.1021/jf030087i'      Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
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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