Summary

IMPPAT Phytochemical identifier: IMPHY016347

Phytochemical name: 2,4-Dimethyl-4-octanol

Synonymous chemical names:
2.4-dimethyloctan-4-ol

External chemical identifiers:
CID:568123, SureChEMBL:SCHEMBL5464467

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Chemical structure information

SMILES:
CCCCC(CC(C)C)(O)C

InChI:
InChI=1S/C10H22O/c1-5-6-7-10(4,11)8-9(2)3/h9,11H,5-8H2,1-4H3

InChIKey:
VRFMFHBPJUSGFK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC)C)))O)C

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.75

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Chemical structure download