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1-Methoxy-1-pentoxyethane
ScientificNameLabel
1-Methoxy-1-pentoxyethane
PHCD compound ID :
2325
Chemical Names :
1-Methoxy-1-pentoxyethane
Molecular Formula :
C8H18O2
Molecular Weight :
146.13068
More Details :
Names & Synonyms:
1-(1-methoxyethoxy)pentane
Smiles:
CCCCCO[C@@H](OC)C
InChi :
InChI=1S/C8H18O2/c1-4-5-6-7-10-8(2)9-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChi Key :
InChIKey=DSXZWFNXPOIWEO-MRVPVSSYSA-N
PubChem ID :
12613663
Rotatable bond count :
6
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.967885
Hydrogen bond donor count :
0
Electric dipole moment :
2.327
XLogP :
2.346
VDW volume :
164.504789
Molecular weight :
146.13068
HOMO-LUMO gap :
12.261000
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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