3,3,4-Trimethyl-2-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 3,3,4-Trimethyl-2-pentanone

Structure Search

SMILES

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

InChI

InChIKey=MQJUHFWPBZLKFV-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-6(2)8(4,5)7(3)9/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 `Wed Apr 02 12:14:51 GMT 2025` Edited by `admin` on `Wed Apr 02 12:14:51 GMT 2025`
Record UNII	U27MC7S8QY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,3,4-Trimethyl-2-pentanone

Systematic Name

English

NSC-914

Preferred Name

English

2-Pentanone, 3,3,4-trimethyl-

Systematic Name

English

3,3,4-Trimethylpentan-2-one

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90277123

Created by admin on Wed Apr 02 12:14:51 GMT 2025 , Edited by admin on Wed Apr 02 12:14:51 GMT 2025

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FDA UNII

U27MC7S8QY

Created by admin on Wed Apr 02 12:14:51 GMT 2025 , Edited by admin on Wed Apr 02 12:14:51 GMT 2025

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NSC

914

Created by admin on Wed Apr 02 12:14:51 GMT 2025 , Edited by admin on Wed Apr 02 12:14:51 GMT 2025

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PUBCHEM

219508

Created by admin on Wed Apr 02 12:14:51 GMT 2025 , Edited by admin on Wed Apr 02 12:14:51 GMT 2025

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CAS

5340-47-6

Created by admin on Wed Apr 02 12:14:51 GMT 2025 , Edited by admin on Wed Apr 02 12:14:51 GMT 2025

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