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1-Ethoxy-1-pentoxyethane
ScientificNameLabel
1-Ethoxy-1-pentoxyethane
PHCD compound ID :
2350
Chemical Names :
1-Ethoxy-1-pentoxyethane
Molecular Formula :
C9H20O2
Molecular Weight :
160.14633
More Details :
Names & Synonyms:
1-(1-ethoxyethoxy)pentane
Smiles:
CCCCCO[C@@H](OCC)C
InChi :
InChI=1S/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3/t9-/m1/s1
InChi Key :
InChIKey=QMLYOIJQQWWNKE-SECBINFHSA-N
PubChem ID :
114523
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.921000
Hydrogen bond donor count :
0
Electric dipole moment :
2.254
XLogP :
2.769
VDW volume :
181.800774
Molecular weight :
160.14633
HOMO-LUMO gap :
12.244000
Herb list :
Strawberry - Fragaria vesca - توت فرنگی
Refrences & Litretures:
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
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