1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)BUTANE-1,3-DIONE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H20O2
Molecular Weight	208.2967
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)BUTANE-1,3-DIONE

Structure Search

SMILES

CC(=O)CC(=O)C1=C(C)CCCC1(C)C

InChI

InChIKey=HZBFGGQVOGNFKB-UHFFFAOYSA-N

InChI=1S/C13H20O2/c1-9-6-5-7-13(3,4)12(9)11(15)8-10(2)14/h5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C13H20O2
Molecular Weight	208.2967
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 `Mon Mar 31 22:28:34 GMT 2025` Edited by `admin` on `Mon Mar 31 22:28:34 GMT 2025`
Record UNII	T78XI898CO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-BUTANEDIONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-

Preferred Name

English

1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)BUTANE-1,3-DIONE

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

254-692-6

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

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EPA CompTox

DTXSID00192954

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

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PUBCHEM

596923

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

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FDA UNII

T78XI898CO

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

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CAS

39900-12-4

Created by admin on Mon Mar 31 22:28:34 GMT 2025 , Edited by admin on Mon Mar 31 22:28:34 GMT 2025

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