Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018163

Phytochemical name: Decane, 3,4-dimethyl-

Synonymous chemical names:
Decane, 3,4-dimethyl-

External chemical identifiers:
CID:CID_545624

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Chemical structure information

SMILES:
CCCCCCC(C(CC)C)C

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

InChIKey:
NRBMEEDORZDRIT-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: 0.891

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Chemical structure download