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3-methylbutyl octanoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM117549

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₂₆O₂

charge

mass

214.19328

reference

InChIKey

XKWSWANXMRXDES-UHFFFAOYSA-N

InChI

InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

SMILES

CCCCCCCC(=O)OCCC(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87536 chebi:87536	3-methylbutyl octanoate isoamyl caprylate isoamyl octanoate isopentyl octanoate octanoic acid isopentyl ester
lipidmaps:LMFA07010682 lipidmapsM:LMFA07010682	3-Methylbutyl octanoate 3-Methylbutyl octanoate WE 13:0 WE(4:0(3Me)/8:0)
hmdb:HMDB0038729	3-Methylbutyl octanoate 3-Methylbutyl octanoic acid 3-methylbutyl octanoate FEMA 2080 Iso-amyl N-octanoate Isoamyl caprylate Isoamyl caprylic acid Isoamyl octanoate Isoamyl octanoic acid Isoamyl octylate Isopentyl alcohol, octanoate Isopentyl octanoate Isopentyl octanoic acid Isopentyl octylate N-Caprylic acid isoamyl ester Octanoate isopentyl ester Octanoic acid isopentyl ester Octanoic acid, 3-methylbutyl ester Octanoic acid, isoamyl ester Octanoic acid, isopentyl ester
hmdb:HMDB38729	secondary/obsolete/fantasy identifier