Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015940

Phytochemical name: Ethyl geranyl ether

Synonymous chemical names:
ethyl geranyl ether

External chemical identifiers:
CID:CID_5365847, ZINC:ZINC000002007329, SureChEMBL:SCHEMBL560298

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Chemical structure information

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

InChI:
InChI=1S/C12H22O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChIKey:
LOUIMJFJROISMD-FMIVXFBMSA-N

DeepSMILES:
CCOC/C=C/CCC=CC)C)))))\C

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

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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: 2.048

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Chemical structure download