TERT-BUTYLALLENE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H12
Molecular Weight	96.1702
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of TERT-BUTYLALLENE

Structure Search

SMILES

CC(C)(C)C=C=C

InChI

InChIKey=KDPBHOKBHCVIPN-UHFFFAOYSA-N

InChI=1S/C7H12/c1-5-6-7(2,3)4/h6H,1H2,2-4H3

HIDE SMILES / InChI

Molecular Formula	C7H12
Molecular Weight	96.1702
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:21:40 GMT 2025` Edited by `admin` on `Wed Apr 02 14:21:40 GMT 2025`
Record UNII	H3GE6JZ5LS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TERT-BUTYLALLENE

Common Name

English

NSC-147137

Preferred Name

English

4,4-DIMETHYLPENTA-1,2-DIENE

Systematic Name

English

1,2-PENTADIENE, 4,4-DIMETHYL-

Systematic Name

English

4,4-DIMETHYL-1,2-PENTADIENE

Systematic Name

English

Code System Code Type Description

PUBCHEM

287351

Created by admin on Wed Apr 02 14:21:40 GMT 2025 , Edited by admin on Wed Apr 02 14:21:40 GMT 2025

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FDA UNII

H3GE6JZ5LS

Created by admin on Wed Apr 02 14:21:40 GMT 2025 , Edited by admin on Wed Apr 02 14:21:40 GMT 2025

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CAS

26981-77-1

Created by admin on Wed Apr 02 14:21:40 GMT 2025 , Edited by admin on Wed Apr 02 14:21:40 GMT 2025

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EPA CompTox

DTXSID30301895

Created by admin on Wed Apr 02 14:21:40 GMT 2025 , Edited by admin on Wed Apr 02 14:21:40 GMT 2025

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NSC

147137

Created by admin on Wed Apr 02 14:21:40 GMT 2025 , Edited by admin on Wed Apr 02 14:21:40 GMT 2025

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