Decyl hexanoate

ScientificNameLabel

Decyl hexanoate
PHCD compound ID :	2331
Chemical Names :	Decyl hexanoate
Molecular Formula :	C16H32O2
Molecular Weight :	256.24023

More Details :

Names & Synonyms:	decyl hexanoate , hexanoic acid decyl ester
Smiles:	CCCCCCCCCCOC(=O)CCCCC
InChi :	InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3-15H2,1-2H3
InChi Key :	InChIKey=QNKHVQVPARQEKZ-UHFFFAOYSA-N
PubChem ID :	104170

Rotatable bond count :	14	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	10.572805
Hydrogen bond donor count :	0	Electric dipole moment :	2.020
XLogP :	6.965	VDW volume :	300.236207
Molecular weight :	256.24023	HOMO-LUMO gap :	11.779000

Herb list :

Strawberry - Fragaria vesca - توت فرنگی

Refrences & Litretures:


262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'

Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.

Follow us