3-(3-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H20O
Molecular Weight	192.2973
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(3-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE

Structure Search

SMILES

CC1=C(CCC=C)C(C)(C)CCC1=O

InChI

InChIKey=CZQIKCBGQZBANA-UHFFFAOYSA-N

InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5H,1,6-9H2,2-4H3

HIDE SMILES / InChI

Molecular Formula	C13H20O
Molecular Weight	192.2973
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 11:09:10 GMT 2023` Edited by `admin` on `Sat Dec 16 11:09:10 GMT 2023`
Record UNII	QXV7P275TL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(3-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE

Systematic Name

English

MEGASTIGMA-5,9-DIEN-4-ONE

Common Name

English

2-CYCLOHEXEN-1-ONE, 3-(3-BUTEN-1-YL)-2,4,4-TRIMETHYL-

Systematic Name

English

2-CYCLOHEXEN-1-ONE, 3-(3-BUTENYL)-2,4,4-TRIMETHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

266-685-5

Created by admin on Sat Dec 16 11:09:10 GMT 2023 , Edited by admin on Sat Dec 16 11:09:10 GMT 2023

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FDA UNII

QXV7P275TL

Created by admin on Sat Dec 16 11:09:10 GMT 2023 , Edited by admin on Sat Dec 16 11:09:10 GMT 2023

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CAS

67401-27-8

Created by admin on Sat Dec 16 11:09:10 GMT 2023 , Edited by admin on Sat Dec 16 11:09:10 GMT 2023

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EPA CompTox

DTXSID90217761

Created by admin on Sat Dec 16 11:09:10 GMT 2023 , Edited by admin on Sat Dec 16 11:09:10 GMT 2023

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PUBCHEM

105426

Created by admin on Sat Dec 16 11:09:10 GMT 2023 , Edited by admin on Sat Dec 16 11:09:10 GMT 2023

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