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ScientificNameLabel
4-methyl-2-pentanol
PHCD compound ID : 4094
Chemical Names :
4-methyl-2-pentanol
Molecular Formula : C6H14O1
Molecular Weight : 102.104465
More Details :
Names & Synonyms: 4-methylpentan-2-ol , 4-methyl-2-pentanol
Smiles: CC(C[C@H](O)C)C
InChi : InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3/t6-/m1/s1
InChi Key : InChIKey=WVYWICLMDOOCFB-ZCFIWIBFSA-N
PubChem ID : 7910
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.386351
Hydrogen bond donor count : 1 Electric dipole moment : 1.837
XLogP : 1.819 VDW volume : 121.122593
Molecular weight : 102.104465 HOMO-LUMO gap : 13.494000
Herb list :
Refrences & Litretures:
  
566.      Journal:'J. Essent. Oil Res'      Year:'1993'      Volume:'5'      Page:'451'      DOI:'10.1080/10412905.1993.9698258'      Title:'The Essential Oil of Cinnamomum camphora (L.) Sieb. var. linaloolifera from Vietnam'
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