Summary

IMPPAT Phytochemical identifier: IMPHY016932

Phytochemical name: 1-Butene, 2-methyl-4-[(3-methyl-2-butenyl)oxy]-

Synonymous chemical names:
2-methyl-4[(3-methyl-2-butenyl)oxy]-1-butene

External chemical identifiers:
CID:101097, ZINC:ZINC000005158808, SureChEMBL:SCHEMBL11135438

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Chemical structure information

SMILES:
CC(=C)CCOCC=C(C)C

InChI:
InChI=1S/C10H18O/c1-9(2)5-7-11-8-6-10(3)4/h6H,1,5,7-8H2,2-4H3

InChIKey:
SBKPSGLYGQUMEX-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCOCC=CC)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.164

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Chemical structure download