Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018152

Phytochemical name: Octen-1-ol

Synonymous chemical names:
Octen-1-ol

External chemical identifiers:
CID:CID_185984, Molport-001-783-783

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Chemical structure information

SMILES:
CCCCCCC=CO

InChI:
InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h7-9H,2-6H2,1H3

InChIKey:
MDVPRIBCAFEROC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=CO

Functional groups:
CC=CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Enols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.714

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Chemical structure download