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ScientificNameLabel
heptadecan-4-olid
PHCD compound ID : 5483
Chemical Names :
heptadecan-4-olid
Molecular Formula : C17H32O2
Molecular Weight : 268.24023
More Details :
Names & Synonyms: 5-tridecyltetrahydrofuran-2-one , 5-tridecyl-2-oxolanone , 5-tridecyloxolan-2-one
Smiles: CCCCCCCCCCCCC[C@H]1CCC(=O)O1
InChi : InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17(18)19-16/h16H,2-15H2,1H3/t16-/m0/s1
InChi Key : InChIKey=ZZKHCCCWEVWBPD-INIZCTEOSA-N
PubChem ID : 526788
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.709579
Hydrogen bond donor count : 0 Electric dipole moment : 4.699
XLogP : 7.296 VDW volume : 305.175733
Molecular weight : 268.24023 HOMO-LUMO gap : 11.860000
Herb list :
Refrences & Litretures:
  
917.      Journal:'International Letters of Chemistry, Physics and Astronomy'      Year:'2013'      Volume:'13'      Page:'210'      DOI:'10.18052/www.scipress.com/ILCPA.13.210'      Title:'Chemical composition of Marrubium vulgare L. essential oil from Algeria'
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