1,1-Diethoxy-2-octyne

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H22O2
Molecular Weight	198.3019
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Diethoxy-2-octyne

Structure Search

SMILES

CCCCCC#CC(OCC)OCC

InChI

InChIKey=YKXAYRBNHIHDSI-UHFFFAOYSA-N

InChI=1S/C12H22O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C12H22O2
Molecular Weight	198.3019
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 20:37:29 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:29 GMT 2025`
Record UNII	8YAQ9Z24RB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Diethoxyoct-2-yne

Preferred Name

English

1,1-Diethoxy-2-octyne

Systematic Name

English

2-Octyne, 1,1-diethoxy-

Systematic Name

English

Code System Code Type Description

FDA UNII

8YAQ9Z24RB

Created by admin on Tue Apr 01 20:37:29 GMT 2025 , Edited by admin on Tue Apr 01 20:37:29 GMT 2025

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CAS

16387-55-6

Created by admin on Tue Apr 01 20:37:29 GMT 2025 , Edited by admin on Tue Apr 01 20:37:29 GMT 2025

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EPA CompTox

DTXSID30167670

Created by admin on Tue Apr 01 20:37:29 GMT 2025 , Edited by admin on Tue Apr 01 20:37:29 GMT 2025

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ECHA (EC/EINECS)

240-438-1

Created by admin on Tue Apr 01 20:37:29 GMT 2025 , Edited by admin on Tue Apr 01 20:37:29 GMT 2025

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PUBCHEM

85389

Created by admin on Tue Apr 01 20:37:29 GMT 2025 , Edited by admin on Tue Apr 01 20:37:29 GMT 2025

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