2,4,4-TRIMETHYLCYCLOPENTANONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C8H14O
Molecular Weight	126.1962
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,4-TRIMETHYLCYCLOPENTANONE

Structure Search

SMILES

CC1CC(C)(C)CC1=O

InChI

InChIKey=OXTQEWUBDTVSFB-UHFFFAOYSA-N

InChI=1S/C8H14O/c1-6-4-8(2,3)5-7(6)9/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C8H14O
Molecular Weight	126.1962
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:39:49 GMT 2023` Edited by `admin` on `Sat Dec 16 12:39:49 GMT 2023`
Record UNII	IRJ0Q2WNHK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,4,4-TRIMETHYLCYCLOPENTANONE

Systematic Name

English

2,4,4-TRIMETHYLCYCLOPENTANONE, (±)-

Systematic Name

English

(±)-2,4,4-TRIMETHYLCYCLOPENTANONE

Systematic Name

English

CYCLOPENTANONE, 2,4,4-TRIMETHYL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40871094

Created by admin on Sat Dec 16 12:39:49 GMT 2023 , Edited by admin on Sat Dec 16 12:39:49 GMT 2023

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FDA UNII

IRJ0Q2WNHK

Created by admin on Sat Dec 16 12:39:49 GMT 2023 , Edited by admin on Sat Dec 16 12:39:49 GMT 2023

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ECHA (EC/EINECS)

225-155-3

Created by admin on Sat Dec 16 12:39:49 GMT 2023 , Edited by admin on Sat Dec 16 12:39:49 GMT 2023

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CAS

4694-12-6

Created by admin on Sat Dec 16 12:39:49 GMT 2023 , Edited by admin on Sat Dec 16 12:39:49 GMT 2023

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PUBCHEM

107324

Created by admin on Sat Dec 16 12:39:49 GMT 2023 , Edited by admin on Sat Dec 16 12:39:49 GMT 2023

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