Octane-3,3-dimethyl

ScientificNameLabel

Octane-3,3-dimethyl
PHCD compound ID :	1358
Chemical Names :	Octane-3,3-dimethyl
Molecular Formula :	C10H22
Molecular Weight :	142.172151

More Details :

Names & Synonyms:	3,3-dimethyloctane
Smiles:	CCCCCC(CC)(C)C
InChi :	InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3
InChi Key :	InChIKey=DBULLUBYDONGLT-UHFFFAOYSA-N
PubChem ID :	138117

Rotatable bond count :	5	Rule of five :	1
Hydrogen bond acceptor count :	0	Ionization potential :	10.769249
Hydrogen bond donor count :	0	Electric dipole moment :	0.066
XLogP :	6.006	VDW volume :	181.516305
Molecular weight :	142.172151	HOMO-LUMO gap :	14.742000

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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