2,2,6,6-Tetramethyl-4-heptanone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H22O
Molecular Weight	170.2918
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,6,6-Tetramethyl-4-heptanone

Structure Search

SMILES

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

InChI

InChIKey=LPKATDGGXXEZFL-UHFFFAOYSA-N

InChI=1S/C11H22O/c1-10(2,3)7-9(12)8-11(4,5)6/h7-8H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C11H22O
Molecular Weight	170.2918
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 12:21:36 GMT 2025` Edited by `admin` on `Wed Apr 02 12:21:36 GMT 2025`
Record UNII	D69EN4266B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2,6,6-Tetramethyl-4-heptanone

Systematic Name

English

NSC-958

Preferred Name

English

Dineopentyl ketone

Systematic Name

English

4-Heptanone, 2,2,6,6-tetramethyl-

Systematic Name

English

Neopentyl ketone

Systematic Name

English

Code System Code Type Description

NSC

958

Created by admin on Wed Apr 02 12:21:36 GMT 2025 , Edited by admin on Wed Apr 02 12:21:36 GMT 2025

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EPA CompTox

DTXSID30196147

Created by admin on Wed Apr 02 12:21:36 GMT 2025 , Edited by admin on Wed Apr 02 12:21:36 GMT 2025

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PUBCHEM

138244

Created by admin on Wed Apr 02 12:21:36 GMT 2025 , Edited by admin on Wed Apr 02 12:21:36 GMT 2025

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CAS

4436-99-1

Created by admin on Wed Apr 02 12:21:36 GMT 2025 , Edited by admin on Wed Apr 02 12:21:36 GMT 2025

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FDA UNII

D69EN4266B

Created by admin on Wed Apr 02 12:21:36 GMT 2025 , Edited by admin on Wed Apr 02 12:21:36 GMT 2025

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