Summary

IMPPAT Phytochemical identifier: IMPHY017168

Phytochemical name: 1,6-Octadiene, 3-ethoxy-3,7-dimethyl-

Synonymous chemical names:
ethyl linalyl ether

External chemical identifiers:
CID:175211, FDASRS:W8H09IT6ZA, SureChEMBL:SCHEMBL164899

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Chemical structure information

SMILES:
CCOC(CCC=C(C)C)(C=C)C

InChI:
InChI=1S/C12H22O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h6,9H,1,7-8,10H2,2-5H3

InChIKey:
GSFBRCUXDDCNKV-UHFFFAOYSA-N

DeepSMILES:
CCOCCCC=CC)C)))))C=C))C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.105

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Chemical structure download