Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002874

Phytochemical name: 4,6-Dimethyldodecane

Synonymous chemical names:
4,6-dimethyl dodecane, 4,6-Dimethyldodecane

External chemical identifiers:
CID:CID_545627, ChEBI:CHEBI:84249, SureChEMBL:SCHEMBL671306

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Chemical structure information

SMILES:
CCCCCCC(CC(CCC)C)C

InChI:
InChI=1S/C14H30/c1-5-7-8-9-11-14(4)12-13(3)10-6-2/h13-14H,5-12H2,1-4H3

InChIKey:
FNUQJWPIADDMRS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC)))C)))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.133

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Chemical structure download