2-(HEPTYLOXY)-3-METHYLCYCLOPENT-2-EN-1-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H22O2
Molecular Weight	210.3126
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(HEPTYLOXY)-3-METHYLCYCLOPENT-2-EN-1-ONE

Structure Search

SMILES

CCCCCCCOC1=C(C)CCC1=O

InChI

InChIKey=DTNSBJIEHMLBJE-UHFFFAOYSA-N

InChI=1S/C13H22O2/c1-3-4-5-6-7-10-15-13-11(2)8-9-12(13)14/h3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H22O2
Molecular Weight	210.3126
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 `Tue Apr 01 18:49:55 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:55 GMT 2025`
Record UNII	1K5AKS9MLS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-CYCLOPENTEN-1-ONE, 2-(HEPTYLOXY)-3-METHYL-

Preferred Name

English

2-(HEPTYLOXY)-3-METHYLCYCLOPENT-2-EN-1-ONE

Systematic Name

English

Code System Code Type Description

CAS

94202-12-7

Created by admin on Tue Apr 01 18:49:55 GMT 2025 , Edited by admin on Tue Apr 01 18:49:55 GMT 2025

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PUBCHEM

3024017

Created by admin on Tue Apr 01 18:49:55 GMT 2025 , Edited by admin on Tue Apr 01 18:49:55 GMT 2025

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ECHA (EC/EINECS)

303-704-9

Created by admin on Tue Apr 01 18:49:55 GMT 2025 , Edited by admin on Tue Apr 01 18:49:55 GMT 2025

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FDA UNII

1K5AKS9MLS

Created by admin on Tue Apr 01 18:49:55 GMT 2025 , Edited by admin on Tue Apr 01 18:49:55 GMT 2025

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EPA CompTox

DTXSID00241037

Created by admin on Tue Apr 01 18:49:55 GMT 2025 , Edited by admin on Tue Apr 01 18:49:55 GMT 2025

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