Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013379

Phytochemical name: 3,3-Dimethyloctane

Synonymous chemical names:
3,3-Dimethyloctane, octane-3,3-dimethyl

External chemical identifiers:
CID:CID_138117, ChEBI:CHEBI:143850, ZINC:ZINC000002564103, SureChEMBL:SCHEMBL598125, MolPort-028-747-797

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Chemical structure information

SMILES:
CCCCCC(CC)(C)C

InChI:
InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3

InChIKey:
DBULLUBYDONGLT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC))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: 0.653

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Chemical structure download