Summary

IMPPAT Phytochemical identifier: IMPHY013839

Phytochemical name: 2,6-Dimethyloctan-2-ol

Synonymous chemical names:
tetrahydromyrcenol

External chemical identifiers:
CID:86751, ChEMBL:CHEMBL3188990, FDASRS:EKV1VX27WR, SureChEMBL:SCHEMBL112618, MolPort-002-507-360

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Chemical structure information

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

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

InChIKey:
WRFXXJKURVTLSY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCO)C)C)))))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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.538

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Chemical structure download