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ScientificNameLabel
3-Ethyl-4-methyl-1-pentanol
PHCD compound ID : 5252
Chemical Names :
3-Ethyl-4-methyl-1-pentanol
Molecular Formula : C8H18O1
Molecular Weight : 130.135765
More Details :
Names & Synonyms: 3-ethyl-4-methyl-pentan-1-ol , 3-ethyl-4-methyl-1-pentanol , 3-ethyl-4-methylpentan-1-ol
Smiles: OCC[C@H](C(C)C)CC
InChi : InChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3/t8-/m1/s1
InChi Key : InChIKey=RWIFVESHBHTZEM-MRVPVSSYSA-N
PubChem ID : 549664
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.417272
Hydrogen bond donor count : 1 Electric dipole moment : 1.750
XLogP : 3.005 VDW volume : 155.714562
Molecular weight : 130.135765 HOMO-LUMO gap : 13.316000
Herb list :
Refrences & Litretures:
  
839.      Journal:'Russian Chemical Bulletin, International Edition'      Year:'2016'      Volume:'65'      Page:'1148'      DOI:'10.1007/s11172-016-1428-6'      Title:'The volatile constituent analysis of Digitalis nervosa Steud. & Hochst. ex Benth. from Iran'
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