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7-Ethyl-4-decen-6-one
ScientificNameLabel
7-Ethyl-4-decen-6-one
PHCD compound ID :
3900
Chemical Names :
7-Ethyl-4-decen-6-one
Molecular Formula :
C12H22O1
Molecular Weight :
182.167065
More Details :
Names & Synonyms:
(E)-4-ethyldec-6-en-5-one , (E)-4-ethyl-6-decen-5-one
Smiles:
CCC/C=C/C(=O)[C@@H](CCC)CC
InChi :
InChI=1S/C12H22O/c1-4-7-8-10-12(13)11(6-3)9-5-2/h8,10-11H,4-7,9H2,1-3H3/b10-8+/t11-/m1/s1
InChi Key :
InChIKey=UJQGKPVTWJPSRA-RJCSOLBVSA-N
PubChem ID :
11542880
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.724623
Hydrogen bond donor count :
0
Electric dipole moment :
2.790
XLogP :
4.284
VDW volume :
219.625584
Molecular weight :
182.167065
HOMO-LUMO gap :
9.818000
Herb list :
Jujube - Ziziphus jujuba - عناب
Refrences & Litretures:
532. Journal:'J PURE APPL MICROBIO' Year:'2013' Volume:'7' Page:'379' DOI:'' Title:'Chemical Composition and Antimicrobial Activity of Ziziphus jujuba Seeds Extract'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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