Summary

IMPPAT Phytochemical identifier: IMPHY015953

Phytochemical name: 3,7-Dimethyloctan-3-ol

Synonymous chemical names:
tetra hydrolinalool, tetrahydro linalool, tetrahydro-linalool, tetrahydrolinalool

External chemical identifiers:
CID:6548, ChEMBL:CHEMBL3183871, ChEBI:84242, FDASRS:UM4XS5M134, SureChEMBL:SCHEMBL21627, MolPort-003-929-814

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Chemical structure information

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

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

InChIKey:
DLHQZZUEERVIGQ-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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.148

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Chemical structure download