7-TERT-BUTYL-1,5-BENZODIOXEPIN-3-ONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16O3
Molecular Weight	220.2643
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-TERT-BUTYL-1,5-BENZODIOXEPIN-3-ONE

Structure Search

SMILES

CC(C)(C)C1=CC=C2OCC(=O)COC2=C1

InChI

InChIKey=VFQHMVHBTUURKJ-UHFFFAOYSA-N

InChI=1S/C13H16O3/c1-13(2,3)9-4-5-11-12(6-9)16-8-10(14)7-15-11/h4-6H,7-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H16O3
Molecular Weight	220.2643
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 22:05:17 GMT 2025` Edited by `admin` on `Mon Mar 31 22:05:17 GMT 2025`
Record UNII	JI094VG3JB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-TERT-BUTYL-1,5-BENZODIOXEPIN-3-ONE

Systematic Name

English

2H-1,5-BENZODIOXEPIN-3(4H)-ONE, 7-(1,1-DIMETHYLETHYL)-

Preferred Name

English

7-(TERT-BUTYL)-2H-BENZO(B)(1,4)DIOXEPIN-3(4H)-ONE

Systematic Name

English

7-(1,1-DIMETHYLETHYL)-2H-1,5-BENZODIOXEPIN-3(4H)-ONE

Systematic Name

English

7-TERT-BUTYL-1,5-BENZODIOXEPIN-3(4H)-ONE

Systematic Name

English

Code System Code Type Description

FDA UNII

JI094VG3JB

Created by admin on Mon Mar 31 22:05:17 GMT 2025 , Edited by admin on Mon Mar 31 22:05:17 GMT 2025

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CAS

195251-91-3

Created by admin on Mon Mar 31 22:05:17 GMT 2025 , Edited by admin on Mon Mar 31 22:05:17 GMT 2025

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PUBCHEM

16723825

Created by admin on Mon Mar 31 22:05:17 GMT 2025 , Edited by admin on Mon Mar 31 22:05:17 GMT 2025

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EPA CompTox

DTXSID6051356

Created by admin on Mon Mar 31 22:05:17 GMT 2025 , Edited by admin on Mon Mar 31 22:05:17 GMT 2025

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