Heptacosanal

ScientificNameLabel

Heptacosanal
PHCD compound ID :	929
Chemical Names :	Heptacosanal
Molecular Formula :	C27H54O1
Molecular Weight :	394.417466

More Details :

Names & Synonyms:	heptacosanal
Smiles:	CCCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChi :	InChI=1S/C27H54O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h27H,2-26H2,1H3
InChi Key :	InChIKey=UEAAOADMOOTTQM-UHFFFAOYSA-N
PubChem ID :	155762

Rotatable bond count :	25	Rule of five :	2
Hydrogen bond acceptor count :	1	Ionization potential :	10.078860
Hydrogen bond donor count :	0	Electric dipole moment :	2.960
XLogP :	14.243	VDW volume :	481.701812
Molecular weight :	394.417466	HOMO-LUMO gap :	10.877000

Herb list :

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Refrences & Litretures:


74. Journal:'Food Chemistry' Year:'1998' Volume:'63' Page:'373' DOI:'' Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'

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