Summary

IMPPAT Phytochemical identifier: IMPHY017539

Phytochemical name: 5-Hepten-3-yn-2-ol, 6-methyl-5-(1-methylethyl)-

Synonymous chemical names:
5-isopropyl-6-methyl-5-hepten-3-yn-2-ol

External chemical identifiers:
CID:591903

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Chemical structure information

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

InChI:
InChI=1S/C11H18O/c1-8(2)11(9(3)4)7-6-10(5)12/h8,10,12H,1-5H3

InChIKey:
HITJMBNQXYSOGU-UHFFFAOYSA-N

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

Functional groups:
CC#CC(C)=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: 0.988

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Chemical structure download