Summary

IMPPAT Phytochemical identifier: IMPHY016350

Phytochemical name: 2-(7-Heptadecynyloxy)tetrahydro-2H-pyran

Synonymous chemical names:
2h-pyran 2-(7-heptadecynyloxy)tetrahydro

External chemical identifiers:
CID:543312

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Chemical structure information

SMILES:
CCCCCCCCCC#CCCCCCCOC1CCCCO1

InChI:
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-22-19-16-18-21-24-22/h22H,2-9,12-21H2,1H3

InChIKey:
ONANHJGDQJCYMD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC#CCCCCCCOCCCCCO6

Functional groups:
CC#CC, COC(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.556

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Chemical structure download