Summary

IMPPAT Phytochemical identifier: IMPHY015333

Phytochemical name: 3-Ethyl-3-methylheptane

Synonymous chemical names:
3-ethyl-3-methylheptane

External chemical identifiers:
CID:140213, ZINC:ZINC000002564086, SureChEMBL:SCHEMBL598335

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Chemical structure information

SMILES:
CCCCC(CC)(CC)C

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

InChIKey:
HSOMNBKXPGCNBH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC))CC))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: 0.468

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Chemical structure download