2-methylbutyl propanoate

ScientificNameLabel

2-methylbutyl propanoate
PHCD compound ID :	3377
Chemical Names :	2-methylbutyl propanoate
Molecular Formula :	C8H16O2
Molecular Weight :	144.11503

More Details :

Names & Synonyms:	2-methylbutyl propanoate , propanoic acid 2-methylbutyl ester , propionic acid 2-methylbutyl ester
Smiles:	CC[C@@H](COC(=O)CC)C
InChi :	InChI=1S/C8H16O2/c1-4-7(3)6-10-8(9)5-2/h7H,4-6H2,1-3H3/t7-/m0/s1
InChi Key :	InChIKey=MVJLYXCJBPXRCY-ZETCQYMHSA-N
PubChem ID :	102817

Rotatable bond count :	5	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	10.703196
Hydrogen bond donor count :	0	Electric dipole moment :	1.841
XLogP :	2.141	VDW volume :	161.86833
Molecular weight :	144.11503	HOMO-LUMO gap :	11.935000

Herb list :

apple - Malus domestica - سیب

Refrences & Litretures:


463. Journal:'J. Agric. Food Chem' Year:'2007' Volume:'55' Page:'6087' DOI:'10.1021/jf070464h' Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'

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