Summary

IMPPAT Phytochemical identifier: IMPHY015815

Phytochemical name: 7-Methoxy-3,7-dimethyloctanal

Synonymous chemical names:
methoxy citronellal

External chemical identifiers:
CID:19223, ChEMBL:CHEMBL3189093, FDASRS:261VCL42SZ, SureChEMBL:SCHEMBL113867, MolPort-003-987-708

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Chemical structure information

SMILES:
O=CCC(CCCC(OC)(C)C)C

InChI:
InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3

InChIKey:
IDWULKZGRNHZNR-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCOC))C)C)))))C

Functional groups:
CC=O, COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.821

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Chemical structure download