1-OCTYNE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H14
Molecular Weight	110.1968
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-OCTYNE

Structure Search

SMILES

CCCCCCC#C

InChI

InChIKey=UMIPWJGWASORKV-UHFFFAOYSA-N

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3

HIDE SMILES / InChI

Molecular Formula	C8H14
Molecular Weight	110.1968
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:02:02 GMT 2025` Edited by `admin` on `Tue Apr 01 17:02:02 GMT 2025`
Record UNII	7S3FMU8W67
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HEXYLACETYLENE

Preferred Name

English

1-OCTYNE

Systematic Name

English

OCT-1-YNE

Systematic Name

English

N-HEXYLACETYLENE

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

211-069-3

Created by admin on Tue Apr 01 17:02:02 GMT 2025 , Edited by admin on Tue Apr 01 17:02:02 GMT 2025

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PUBCHEM

12370

Created by admin on Tue Apr 01 17:02:02 GMT 2025 , Edited by admin on Tue Apr 01 17:02:02 GMT 2025

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EPA CompTox

DTXSID9060863

Created by admin on Tue Apr 01 17:02:02 GMT 2025 , Edited by admin on Tue Apr 01 17:02:02 GMT 2025

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CAS

629-05-0

Created by admin on Tue Apr 01 17:02:02 GMT 2025 , Edited by admin on Tue Apr 01 17:02:02 GMT 2025

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FDA UNII

7S3FMU8W67

Created by admin on Tue Apr 01 17:02:02 GMT 2025 , Edited by admin on Tue Apr 01 17:02:02 GMT 2025

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