Cyclobutanecarboxylic acid, hexyl ester

ScientificNameLabel

Cyclobutanecarboxylic acid, hexyl ester
PHCD compound ID :	117
Chemical Names :	Cyclobutanecarboxylic acid, hexyl ester
Molecular Formula :	C11H20O2
Molecular Weight :	184.14633

More Details :

Names & Synonyms:	hexyl cyclobutanecarboxylate , cyclobutanecarboxylic acid hexyl ester
Smiles:	CCCCCCOC(=O)C1CCC1
InChi :	InChI=1S/C11H20O2/c1-2-3-4-5-9-13-11(12)10-7-6-8-10/h10H,2-9H2,1H3
InChi Key :	InChIKey=RPGHXRQYDIQTCB-UHFFFAOYSA-N
PubChem ID :	544244

Rotatable bond count :	7	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.597365
Hydrogen bond donor count :	0	Electric dipole moment :	1.842
XLogP :	3.504	VDW volume :	201.399826
Molecular weight :	184.14633	HOMO-LUMO gap :	11.668000

Herb list :

Lavender - Lavandula angustifolia - اسطوخودوس

Refrences & Litretures:


6. Journal:'Photochemistry and Photobiology' Year:'2014' Volume:'90' Page:'702' DOI:'10.1111/php.12229' Title:'Biochemical Composition and Antioxidant Properties of Lavandula angustifolia Miller Essential Oil are Shielded by Propolis Against UV Radiations'

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