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1-Ethoxy-1-hex-3-enoxyethane
ScientificNameLabel
1-Ethoxy-1-hex-3-enoxyethane
PHCD compound ID :
2352
Chemical Names :
1-Ethoxy-1-hex-3-enoxyethane
Molecular Formula :
C10H20O2
Molecular Weight :
172.14633
More Details :
Names & Synonyms:
(E)-1-(1-ethoxyethoxy)hex-3-ene , (E)-1-(1-ethoxyethoxy)-3-hexene
Smiles:
CC/C=C/CCO[C@@H](OCC)C
InChi :
InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+/t10-/m1/s1
InChi Key :
InChIKey=PAEBAEDUARAOSG-VQCYPWCPSA-N
PubChem ID :
5463962
Rotatable bond count :
7
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
9.566319
Hydrogen bond donor count :
0
Electric dipole moment :
0.546
XLogP :
2.822
VDW volume :
196.4603
Molecular weight :
172.14633
HOMO-LUMO gap :
10.736000
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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