Summary

IMPPAT Phytochemical identifier: IMPHY016792

Phytochemical name: 1,2-Epoxydecane

Synonymous chemical names:
octyloxirane

External chemical identifiers:
CID:16993, ChEMBL:CHEMBL1422466, FDASRS:Q312EN88HU, SureChEMBL:SCHEMBL52034, MolPort-003-928-763

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Chemical structure information

SMILES:
CCCCCCCCC1CO1

InChI:
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-10-9-11-10/h10H,2-9H2,1H3

InChIKey:
AAMHBRRZYSORSH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCO3

Functional groups:
CC1CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP-Likeness score: 1.007

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Chemical structure download