Summary

IMPPAT Phytochemical identifier: IMPHY012466

Phytochemical name: 2,6-Dimethyl-5-hepten-1-ol

Synonymous chemical names:
2,6-dimethyl-5-hepten-1-ol

External chemical identifiers:
CID:240230, ChEBI:87594, FDASRS:5AJ2S4WYF5, SureChEMBL:SCHEMBL811437

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Chemical structure information

SMILES:
OCC(CCC=C(C)C)C

InChI:
InChI=1S/C9H18O/c1-8(2)5-4-6-9(3)7-10/h5,9-10H,4,6-7H2,1-3H3

InChIKey:
WFZFXUZFKAOTRR-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=CC)C)))))C

Functional groups:
CC=C(C)C, 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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.638

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Chemical structure download