3,4-DIETHYL-2,5-HEXANEDIONE, (R,R)-(±)-

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H18O2
Molecular Weight	170.2487
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DIETHYL-2,5-HEXANEDIONE, (R,R)-(±)-

Structure Search

SMILES

CC[C@H]([C@@H](CC)C(C)=O)C(C)=O

InChI

InChIKey=WTQCNKKZKCLSLA-UWVGGRQHSA-N

InChI=1S/C10H18O2/c1-5-9(7(3)11)10(6-2)8(4)12/h9-10H,5-6H2,1-4H3/t9-,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H18O2
Molecular Weight	170.2487
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:36:19 GMT 2023` Edited by `admin` on `Sat Dec 16 10:36:19 GMT 2023`
Record UNII	6C026O184R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,4-DIETHYL-2,5-HEXANEDIONE, (R,R)-(±)-

Systematic Name

English

3,4-DIETHYL-2,5-HEXANEDIONE, (±)-

Systematic Name

English

2,5-HEXANEDIONE, 3,4-DIETHYL-, (R*,R*)-(±)-

Systematic Name

English

2,5-HEXANEDIONE, 3,4-DIETHYL-, (3R,4R)-REL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5491662

Created by admin on Sat Dec 16 10:36:19 GMT 2023 , Edited by admin on Sat Dec 16 10:36:19 GMT 2023

PRIMARY

CAS

34506-20-2

Created by admin on Sat Dec 16 10:36:19 GMT 2023 , Edited by admin on Sat Dec 16 10:36:19 GMT 2023

PRIMARY

EPA CompTox

DTXSID30188067

Created by admin on Sat Dec 16 10:36:19 GMT 2023 , Edited by admin on Sat Dec 16 10:36:19 GMT 2023

PRIMARY

CAS

161325-72-0

Created by admin on Sat Dec 16 10:36:19 GMT 2023 , Edited by admin on Sat Dec 16 10:36:19 GMT 2023

SUPERSEDED

FDA UNII

6C026O184R

Created by admin on Sat Dec 16 10:36:19 GMT 2023 , Edited by admin on Sat Dec 16 10:36:19 GMT 2023

PRIMARY