Summary

IMPPAT Phytochemical identifier: IMPHY015135

Phytochemical name: Hexadecane, 1,1-dimethoxy-

Synonymous chemical names:
1,1-dimethoxyhexadecane

External chemical identifiers:
CID:76037, ZINC:ZINC000085836389, FDASRS:MHW26B8K0A, SureChEMBL:SCHEMBL825730

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(OC)OC

InChI:
InChI=1S/C18H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h18H,4-17H2,1-3H3

InChIKey:
LACZJJJYINHZIR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCOC))OC

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 Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Methoxy fatty acids

NP-Likeness score: 0.359

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Chemical structure download