Triacontanal

ScientificNameLabel

Triacontanal
PHCD compound ID :	931
Chemical Names :	Triacontanal
Molecular Formula :	C30H60O1
Molecular Weight :	436.464417

More Details :

Names & Synonyms:	triacontanal , melissaldehyde
Smiles:	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChi :	InChI=1S/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h30H,2-29H2,1H3
InChi Key :	InChIKey=CGNVIRPGBUXJES-UHFFFAOYSA-N
PubChem ID :	3084375

Rotatable bond count :	28	Rule of five :	2
Hydrogen bond acceptor count :	1	Ionization potential :	10.105951
Hydrogen bond donor count :	0	Electric dipole moment :	3.105
XLogP :	15.95	VDW volume :	533.589765
Molecular weight :	436.464417	HOMO-LUMO gap :	10.860000

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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