Summary

IMPPAT Phytochemical identifier: IMPHY015310

Phytochemical name: 3,3-Dimethylhexane

Synonymous chemical names:
3, 3-dimethyl hexane, 3,3-dimethylhexane

External chemical identifiers:
CID:11233, ChEBI:132182, ZINC:ZINC000001699558, SureChEMBL:SCHEMBL56625

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Chemical structure information

SMILES:
CCCC(CC)(C)C

InChI:
InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3

InChIKey:
KUMXLFIBWFCMOJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC))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: 0.402

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Chemical structure download