2-Methyl-butan-2-ol

ScientificNameLabel

2-Methyl-butan-2-ol
PHCD compound ID :	2235
Chemical Names :	2-Methyl-butan-2-ol
Molecular Formula :	C5H12O1
Molecular Weight :	88.088815

More Details :

Names & Synonyms:	2-methylbutan-2-ol , 2-methyl-2-butanol
Smiles:	CCC(O)(C)C
InChi :	InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
InChi Key :	InChIKey=MSXVEPNJUHWQHW-UHFFFAOYSA-N
PubChem ID :	6405

Rotatable bond count :	1	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.480509
Hydrogen bond donor count :	1	Electric dipole moment :	1.824
XLogP :	1.159	VDW volume :	103.826609
Molecular weight :	88.088815	HOMO-LUMO gap :	13.621000

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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