Summary

IMPPAT Phytochemical identifier: IMPHY015766

Phytochemical name: Isononyl alcohol

Synonymous chemical names:
iso-nonanol

External chemical identifiers:
CID:17072, ZINC:ZINC000002038302, FDASRS:KY36Z95MC2, SureChEMBL:SCHEMBL61074

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Chemical structure information

SMILES:
OCCCCCCC(C)C

InChI:
InChI=1S/C9H20O/c1-9(2)7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3

InChIKey:
QDTDKYHPHANITQ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCC)C

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.046

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Chemical structure download