Summary

IMPPAT Phytochemical identifier: IMPHY015814

Phytochemical name: Butane, 1-methoxy-3-methyl-

Synonymous chemical names:
methoxy-3-methyl butene

External chemical identifiers:
CID:136445, SureChEMBL:SCHEMBL57483

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Chemical structure information

SMILES:
COCCC(C)C

InChI:
InChI=1S/C6H14O/c1-6(2)4-5-7-3/h6H,4-5H2,1-3H3

InChIKey:
ZQAYBCWERYRAMF-UHFFFAOYSA-N

DeepSMILES:
COCCCC)C

Functional groups:
COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP-Likeness score: 0.078

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Chemical structure download