Summary

IMPPAT Phytochemical identifier: IMPHY016407

Phytochemical name: 3,7-Dimethyldecane

Synonymous chemical names:
3,7-dimethyldecane

External chemical identifiers:
CID:28468, SureChEMBL:SCHEMBL1810424

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Chemical structure information

SMILES:
CCCC(CCCC(CC)C)C

InChI:
InChI=1S/C12H26/c1-5-8-12(4)10-7-9-11(3)6-2/h11-12H,5-10H2,1-4H3

InChIKey:
VDAVEASVPZDNQB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC))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: 1.048

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Chemical structure download