Pentadecanoic acid,6-oxo,methyl ester

ScientificNameLabel

Pentadecanoic acid,6-oxo,methyl ester
PHCD compound ID :	2480
Chemical Names :	Pentadecanoic acid,6-oxo,methyl ester
Molecular Formula :	C16H30O3
Molecular Weight :	270.219495

More Details :

Names & Synonyms:	methyl 6-oxopentadecanoate , 6-oxopentadecanoic acid methyl ester , methyl 6-oxidanylidenepentadecanoate , 6-ketopentadecanoic acid methyl ester
Smiles:	CCCCCCCCCC(=O)CCCCC(=O)OC
InChi :	InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19-2/h3-14H2,1-2H3
InChi Key :	InChIKey=BXQOIXTXVGCICF-UHFFFAOYSA-N
PubChem ID :	581125

Rotatable bond count :	14	Rule of five :	1
Hydrogen bond acceptor count :	3	Ionization potential :	10.104636
Hydrogen bond donor count :	0	Electric dipole moment :	1.232
XLogP :	4.828	VDW volume :	306.389975
Molecular weight :	270.219495	HOMO-LUMO gap :	10.964000

Herb list :

Henna - Lawsonia inermis - حنا

Refrences & Litretures:


286. Journal:'Int J Pharm Pharm Sci' Year:'2013' Volume:'5' Page:'617' DOI:'' Title:'GC-MS ANALYSIS OF LAWSONIA INERMIS SEED OIL'

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