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ScientificNameLabel
Benzene-1-butylheptyl
PHCD compound ID : 4588
Chemical Names :
Benzene-1-butylheptyl
Molecular Formula : C17H28
Molecular Weight : 232.219101
More Details :
Names & Synonyms: 1-butylheptylbenzene , undecan-5-ylbenzene
Smiles: CCCCCC[C@H](c1ccccc1)CCCC
InChi : InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3/t16-/m1/s1
InChi Key : InChIKey=RRPCXIBGXYGQNC-MRXNPFEDSA-N
PubChem ID : 20661
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.373204
Hydrogen bond donor count : 0 Electric dipole moment : 0.424
XLogP : 7.994 VDW volume : 271.422363
Molecular weight : 232.219101 HOMO-LUMO gap : 9.743000
Herb list :
Refrences & Litretures:
  
710.      Journal:'Rev. Latinoamer. Qu?m'      Year:'2007'      Volume:'35'      Page:'47'      DOI:''      Title:'Chemical Constituents of Clove (Syzygium aromaticum, Fam. Myrtaceae) and their Antioxidant Activity'
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