Summary

IMPPAT Phytochemical identifier: IMPHY001516

Phytochemical name: Decane

Synonymous chemical names:
decane, decane, n, n-decane

External chemical identifiers:
CID:15600, ChEMBL:CHEMBL134537, ChEBI:41808, ZINC:ZINC000001648227, FDASRS:NK85062OIY, SureChEMBL:SCHEMBL20870, MolPort-001-783-724

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Chemical structure information

SMILES:
CCCCCCCCCC

InChI:
InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

InChIKey:
DIOQZVSQGTUSAI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC

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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: 0.244

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Chemical structure download