2,2-Dimethyl-3-pentanone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14O
Molecular Weight	114.1855
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-Dimethyl-3-pentanone

Structure Search

SMILES

CCC(=O)C(C)(C)C

InChI

InChIKey=VLNUTKMHYLQCQB-UHFFFAOYSA-N

InChI=1S/C7H14O/c1-5-6(8)7(2,3)4/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C7H14O
Molecular Weight	114.1855
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 18:46:05 GMT 2023` Edited by `admin` on `Sat Dec 16 18:46:05 GMT 2023`
Record UNII	B3VJP6F44A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-Dimethyl-3-pentanone

Systematic Name

English

NSC-244941

Code

English

t-Butyl ethyl ketone

Systematic Name

English

Ethyl tert-butyl ketone

Systematic Name

English

3-Pentanone, 2,2-dimethyl-

Systematic Name

English

4,4-Dimethyl-3-pentanone

Systematic Name

English

1-tert-Butylpropanone

Systematic Name

English

Code System Code Type Description

PUBCHEM

136363

Created by admin on Sat Dec 16 18:46:05 GMT 2023 , Edited by admin on Sat Dec 16 18:46:05 GMT 2023

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NSC

244941

Created by admin on Sat Dec 16 18:46:05 GMT 2023 , Edited by admin on Sat Dec 16 18:46:05 GMT 2023

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CAS

564-04-5

Created by admin on Sat Dec 16 18:46:05 GMT 2023 , Edited by admin on Sat Dec 16 18:46:05 GMT 2023

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EPA CompTox

DTXSID10204971

Created by admin on Sat Dec 16 18:46:05 GMT 2023 , Edited by admin on Sat Dec 16 18:46:05 GMT 2023

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FDA UNII

B3VJP6F44A

Created by admin on Sat Dec 16 18:46:05 GMT 2023 , Edited by admin on Sat Dec 16 18:46:05 GMT 2023

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