2-heptanol-5-methyl

ScientificNameLabel

2-heptanol-5-methyl
PHCD compound ID :	2624
Chemical Names :	2-heptanol-5-methyl
Molecular Formula :	C8H18O1
Molecular Weight :	130.135765

More Details :

Names & Synonyms:	5-methylheptan-2-ol , 5-methyl-2-heptanol
Smiles:	CC[C@H](CC[C@H](O)C)C
InChi :	InChI=1S/C8H18O/c1-4-7(2)5-6-8(3)9/h7-9H,4-6H2,1-3H3/t7-,8-/m1/s1
InChi Key :	InChIKey=FYMBAYNKBWGEIK-HTQZYQBOSA-N
PubChem ID :	41143

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.462421
Hydrogen bond donor count :	1	Electric dipole moment :	1.784
XLogP :	2.957	VDW volume :	155.714562
Molecular weight :	130.135765	HOMO-LUMO gap :	13.503000

Herb list :

Nerium, Oleander - Nerium oleander - خرزهره

Refrences & Litretures:


306. Journal:'Int. J. Biol. Chem' Year:'2010' Volume:'4' Page:'190' DOI:'10.3923/ijbc.2010.190.202' Title:'Screening of Chemical Analysis, Antioxidant Antimicrobial and Antitumor Activities of Essential Oil of Oleander (Nerium oleander) Flower'

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