1-Octanol,2-methyl-

ScientificNameLabel

1-Octanol,2-methyl-
PHCD compound ID :	3881
Chemical Names :	1-Octanol,2-methyl-
Molecular Formula :	C9H20O1
Molecular Weight :	144.151415

More Details :

Names & Synonyms:	2-methyloctan-1-ol , 2-methyl-1-octanol
Smiles:	CCCCCC[C@H](CO)C
InChi :	InChI=1S/C9H20O/c1-3-4-5-6-7-9(2)8-10/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChi Key :	InChIKey=IGVGCQGTEINVOH-SECBINFHSA-N
PubChem ID :	102495

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.362626
Hydrogen bond donor count :	1	Electric dipole moment :	2.045
XLogP :	3.424	VDW volume :	173.010547
Molecular weight :	144.151415	HOMO-LUMO gap :	13.460000

Herb list :

St John's wort - Hypericum perforatum - گل راعی، هوفاریقون ، گل شهناز

Refrences & Litretures:


523. Journal:'Pharm Biol' Year:'2014' Volume:'52' Page:'175' DOI:'10.3109/13880209.2013.821663' Title:'Chemical composition and bioactivity of essential oils of Hypericum helianthemoides, Hypericum perforatum and Hypericum scabrum'

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