3-Octane-2ol,2-methyl

ScientificNameLabel

3-Octane-2ol,2-methyl
PHCD compound ID :	1363
Chemical Names :	3-Octane-2ol,2-methyl
Molecular Formula :	C9H18
Molecular Weight :	126.140851

More Details :

Names & Synonyms:	(E)-2-methyloct-3-ene , (E)-2-methyl-3-octene
Smiles:	CCCC/C=C/C(C)C
InChi :	InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h7-9H,4-6H2,1-3H3/b8-7+
InChi Key :	InChIKey=RXYSIDRRVRTDIF-BQYQJAHWSA-N
PubChem ID :	5365951

Rotatable bond count :	4	Rule of five :	0
Hydrogen bond acceptor count :	0	Ionization potential :	9.617121
Hydrogen bond donor count :	0	Electric dipole moment :	0.114
XLogP :	4.88	VDW volume :	161.583862
Molecular weight :	126.140851	HOMO-LUMO gap :	10.861000

Herb list :

Rice - Oryza sativa - برنج

Refrences & Litretures:


145. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'645' DOI:'10.1080/0972060X.2012.10644099' Title:'The Frist Research on The Essential Oil of Iranian Rice (Oryza sativa L.)'

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