Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013131

Phytochemical name: 2-Propyl-tetrahydropyran-3-ol

Synonymous chemical names:
2-Propyl-tetrahydropyran-3-ol, 2-propyltetrahydropyran-3-ol

External chemical identifiers:
CID:CID_541755

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Chemical structure information

SMILES:
CCCC1OCCCC1O

InChI:
InChI=1S/C8H16O2/c1-2-4-8-7(9)5-3-6-10-8/h7-9H,2-6H2,1H3

InChIKey:
SMMBPJGNKCWQPY-UHFFFAOYSA-N

DeepSMILES:
CCCCOCCCC6O

Functional groups:
CO, COC

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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: Polyketides

NP-Likeness score: 1.298

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Chemical structure download