TERT-BUTYLACETYLENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H10
Molecular Weight	82.1436
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TERT-BUTYLACETYLENE

Structure Search

SMILES

CC(C)(C)C#C

InChI

InChIKey=PPWNCLVNXGCGAF-UHFFFAOYSA-N

InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3

HIDE SMILES / InChI

Molecular Formula	C6H10
Molecular Weight	82.1436
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 `Mon Mar 31 23:06:32 GMT 2025` Edited by `admin` on `Mon Mar 31 23:06:32 GMT 2025`
Record UNII	PX4NL23U52
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TERT-BUTYLACETYLENE

Systematic Name

English

3,3-DIMETHYLBUTYNE

Preferred Name

English

3,3-DIMETHYLBUT-1-YNE

Systematic Name

English

3,3,3-TRIMETHYLPROPYNE

Systematic Name

English

3,3-DIMETHYL-1-BUTYNE

Systematic Name

English

1-BUTYNE, 3,3-DIMETHYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

13512

Created by admin on Mon Mar 31 23:06:32 GMT 2025 , Edited by admin on Mon Mar 31 23:06:32 GMT 2025

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EPA CompTox

DTXSID70238671

Created by admin on Mon Mar 31 23:06:32 GMT 2025 , Edited by admin on Mon Mar 31 23:06:32 GMT 2025

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ECHA (EC/EINECS)

213-035-3

Created by admin on Mon Mar 31 23:06:32 GMT 2025 , Edited by admin on Mon Mar 31 23:06:32 GMT 2025

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FDA UNII

PX4NL23U52

Created by admin on Mon Mar 31 23:06:32 GMT 2025 , Edited by admin on Mon Mar 31 23:06:32 GMT 2025

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CAS

917-92-0

Created by admin on Mon Mar 31 23:06:32 GMT 2025 , Edited by admin on Mon Mar 31 23:06:32 GMT 2025

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