Summary

IMPPAT Phytochemical identifier: IMPHY005671

Phytochemical name: 1,1-Dibutoxybutane

Synonymous chemical names:
1,1-dibutoxybutane, lageracetal

External chemical identifiers:
CID:22210, ZINC:ZINC000005514072, SureChEMBL:SCHEMBL351162, MolPort-001-787-478

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Chemical structure information

SMILES:
CCCC(OCCCC)OCCCC

InChI:
InChI=1S/C12H26O2/c1-4-7-10-13-12(9-6-3)14-11-8-5-2/h12H,4-11H2,1-3H3

InChIKey:
WQRBJFZKPWPIJD-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCCC)))))OCCCC

Functional groups:
COC(C)OC

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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: 0.241

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Chemical structure download