Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005338

Phytochemical name: Diisopentyl ether

Synonymous chemical names:
isopentyl ether

External chemical identifiers:
CID:CID_10989, ZINC:ZINC000001699894, FDASRS:5X9P91566R, SureChEMBL:SCHEMBL42956, MolPort-001-783-777

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Chemical structure information

SMILES:
CC(CCOCCC(C)C)C

InChI:
InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3

InChIKey:
AQZGPSLYZOOYQP-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCCC)C)))))))C

Functional groups:
COC

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP003921

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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: -0.155

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Chemical structure download