2,2,4-TRIMETHYL-3-PENTANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16O
Molecular Weight	128.212
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,4-TRIMETHYL-3-PENTANONE

Structure Search

SMILES

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

InChI

InChIKey=OVCHQRXVZXVQNQ-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-6(2)7(9)8(3,4)5/h6H,1-5H3

HIDE SMILES / InChI

Molecular Formula	C8H16O
Molecular Weight	128.212
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 `Sat Dec 16 18:24:43 GMT 2023` Edited by `admin` on `Sat Dec 16 18:24:43 GMT 2023`
Record UNII	4BGD3V6DXM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2,4-TRIMETHYL-3-PENTANONE

Systematic Name

English

ISOPROPYL TERT-BUTYL KETONE

Common Name

English

PENTAMETHYLACETONE

Common Name

English

NSC-892

Code

English

NSC-139131

Code

English

3-PENTANONE, 2,2,4-TRIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID70207281

Created by admin on Sat Dec 16 18:24:43 GMT 2023 , Edited by admin on Sat Dec 16 18:24:43 GMT 2023

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PUBCHEM

138611

Created by admin on Sat Dec 16 18:24:43 GMT 2023 , Edited by admin on Sat Dec 16 18:24:43 GMT 2023

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CAS

5857-36-3

Created by admin on Sat Dec 16 18:24:43 GMT 2023 , Edited by admin on Sat Dec 16 18:24:43 GMT 2023

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NSC

892

Created by admin on Sat Dec 16 18:24:43 GMT 2023 , Edited by admin on Sat Dec 16 18:24:43 GMT 2023

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FDA UNII

4BGD3V6DXM

Created by admin on Sat Dec 16 18:24:43 GMT 2023 , Edited by admin on Sat Dec 16 18:24:43 GMT 2023

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NSC

139131

Created by admin on Sat Dec 16 18:24:43 GMT 2023 , Edited by admin on Sat Dec 16 18:24:43 GMT 2023

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