Summary

IMPPAT Phytochemical identifier: IMPHY016191

Phytochemical name: 1,5-Di(methoxycarbonyloxy)pentane

Synonymous chemical names:
1,5-di(methoxycarbonyloxy)pentane

External chemical identifiers:
CID:91694454

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Chemical structure information

SMILES:
COC(=O)OCCCCCOC(=O)OC

InChI:
InChI=1S/C9H16O6/c1-12-8(10)14-6-4-3-5-7-15-9(11)13-2/h3-7H2,1-2H3

InChIKey:
DIJNPPVDODLPKB-UHFFFAOYSA-N

DeepSMILES:
COC=O)OCCCCCOC=O)OC

Functional groups:
COC(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Organic carbonic acids and derivatives

ClassyFire Subclass: Carbonic acid diesters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.193

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Chemical structure download