Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017926

Phytochemical name: 1,1,3-Triethoxypropane

Synonymous chemical names:
1,1,3-Triethoxypropane

External chemical identifiers:
CID:CID_24624, ZINC:ZINC000001697297, FDASRS:1QW8J6VXAM, SureChEMBL:SCHEMBL1701153, Molport-001-780-149

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Chemical structure information

SMILES:
CCOCCC(OCC)OCC

InChI:
InChI=1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3

InChIKey:
LGICWIVABSMSDK-UHFFFAOYSA-N

DeepSMILES:
CCOCCCOCC)))OCC

Functional groups:
COC(C)OC, COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: -0.267

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Chemical structure download