CYCLOOCTYNE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H12
Molecular Weight	108.1809
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CYCLOOCTYNE

SMILES

C1CCCC#CCC1

InChI

InChIKey=ZPWOOKQUDFIEIX-UHFFFAOYSA-N

InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-6H2

HIDE SMILES / InChI

Molecular Formula	C8H12
Molecular Weight	108.1809
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Hemilabile ligands in organolithium chemistry: substituent effects on lithium ion chelation.	2003 Dec 17	14664582
Redirecting lipoic acid ligase for cell surface protein labeling with small-molecule probes.	2007 Dec	18059260
Identification of stable S-adenosylmethionine (SAM) analogues derivatised with bioorthogonal tags: effect of ligands on the affinity of the E. coli methionine repressor, MetJ, for its operator DNA.	2009 Feb 21	19194573
Synthesis of oligoribonucleic acid conjugates using a cyclooctyne phosphoramidite.	2010 Dec 3	21049910
Surface functionalization using catalyst-free azide-alkyne cycloaddition.	2010 Nov 17	20964340

Showing 1 to 5 of 5 entries

Substance Class	Chemical
Record UNII	35MR2L5G3W
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

CYCLOOCTYNE [MI]

Preferred Name

English

CYCLOOCTYNE

Systematic Name

English

Showing 1 to 2 of 2 entries

Show entries

Code System

Code

Type

Description

FDA UNII

35MR2L5G3W

PRIMARY

MERCK INDEX

m4002

PRIMARY

Merck Index

CHEBI

37815

PRIMARY

PUBCHEM

137207

PRIMARY

EPA CompTox

DTXSID50170424

PRIMARY

Showing 1 to 5 of 6 entries

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