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5-Methyl-5-ethenyldihydro-2(3H)-furanone
ScientificNameLabel
5-Methyl-5-ethenyldihydro-2(3H)-furanone
PHCD compound ID :
939
Chemical Names :
5-Methyl-5-ethenyldihydro-2(3H)-furanone
Molecular Formula :
C8H14O1
Molecular Weight :
126.104465
More Details :
Names & Synonyms:
2,5-dimethyl-2-vinyl-tetrahydrofuran , 2-ethenyl-2,5-dimethyloxolane , 2-ethenyl-2,5-dimethyl-oxolane
Smiles:
C[C@@]1(CC[C@@H](O1)C)C=C
InChi :
InChI=1S/C8H14O/c1-4-8(3)6-5-7(2)9-8/h4,7H,1,5-6H2,2-3H3/t7-,8-/m0/s1
InChi Key :
InChIKey=UZNFMVFUQYWYET-YUMQZZPRSA-N
PubChem ID :
12735920
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.630885
Hydrogen bond donor count :
0
Electric dipole moment :
1.791
XLogP :
1.814
VDW volume :
140.721645
Molecular weight :
126.104465
HOMO-LUMO gap :
10.828000
Herb list :
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Refrences & Litretures:
74. Journal:'Food Chemistry' Year:'1998' Volume:'63' Page:'373' DOI:'' Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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