3-Methyl-3-penthanol

ScientificNameLabel

3-Methyl-3-penthanol
PHCD compound ID :	5335
Chemical Names :	3-Methyl-3-penthanol
Molecular Formula :	C6H14O1
Molecular Weight :	102.104465

More Details :

Names & Synonyms:	3-methylpentan-3-ol , 3-methyl-3-pentanol
Smiles:	CCC(CC)(O)C
InChi :	InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
InChi Key :	InChIKey=FRDAATYAJDYRNW-UHFFFAOYSA-N
PubChem ID :	6493

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.394150
Hydrogen bond donor count :	1	Electric dipole moment :	1.820
XLogP :	1.517	VDW volume :	121.122593
Molecular weight :	102.104465	HOMO-LUMO gap :	13.451000

Herb list :

Real tobacco - Nicotiana rustica - توتون

Refrences & Litretures:


870. Journal:'International Journal of Food Studies' Year:'2020' Volume:'9' Page:'146' DOI:'10.7455/ijfs/9.1.2020.a2' Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'

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