Summary

IMPPAT Phytochemical identifier: IMPHY013809

Phytochemical name: 3,7-Dimethyloct-6-en-1-yn-3-ol

Synonymous chemical names:
dehydro linalool

External chemical identifiers:
CID:62842, ChEBI:171913, FDASRS:L06OT2435M, SureChEMBL:SCHEMBL2227167, MolPort-002-506-864

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Chemical structure information

SMILES:
C#CC(CCC=C(C)C)(O)C

InChI:
InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3

InChIKey:
YWTIDNZYLFTNQQ-UHFFFAOYSA-N

DeepSMILES:
C#CCCCC=CC)C)))))O)C

Functional groups:
C#CC, CC=C(C)C, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 1.689

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Chemical structure download