Summary

IMPPAT Phytochemical identifier: IMPHY012604

Phytochemical name: 2,4-Dimethylheptan-1-ol

Synonymous chemical names:
2,4-dimethylheptan-1-ol

External chemical identifiers:
CID:537126, SureChEMBL:SCHEMBL294810

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Chemical structure information

SMILES:
CCCC(CC(CO)C)C

InChI:
InChI=1S/C9H20O/c1-4-5-8(2)6-9(3)7-10/h8-10H,4-7H2,1-3H3

InChIKey:
HVRFWRROUIDGQO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCO))C)))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: 1.73

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Chemical structure download