2-(2-OCTENYL)CYCLOPENTANONE, (E)-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H22O
Molecular Weight	194.3132
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-(2-OCTENYL)CYCLOPENTANONE, (E)-

Structure Search

SMILES

CCCCC\C=C\CC1CCCC1=O

InChI

InChIKey=QHEUOYOHVATZEB-VOTSOKGWSA-N

InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+

HIDE SMILES / InChI

Molecular Formula	C13H22O
Molecular Weight	194.3132
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:42:20 GMT 2025` Edited by `admin` on `Mon Mar 31 20:42:20 GMT 2025`
Record UNII	9G0420C2LU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(2-OCTENYL)CYCLOPENTANONE, (E)-

Systematic Name

English

(E)-2-(2-OCTENYL)CYCLOPENTANONE

Preferred Name

English

FEMA NO. 3889

Code

English

2-(2-OCTENYL)CYCLOPENTANONE, TRANS-

Systematic Name

English

(E)-2-(2-OCTENYL)CYCLOPENTANONE [FHFI]

Common Name

English

CYCLOPENTANONE, 2-(2-OCTENYL)-, (E)-

Common Name

English

CYCLOPENTANONE, 2-(2E)-2-OCTEN-1-YL-

Systematic Name

English

(E)-2-(2-OCTENYL)CYCLOPENTANONE, (±)-

Systematic Name

English

(±)-(E)-2-(2-OCTENYL)CYCLOPENTANONE

Systematic Name

English

Code System Code Type Description

JECFA MONOGRAPH

1048

Created by admin on Mon Mar 31 20:42:20 GMT 2025 , Edited by admin on Mon Mar 31 20:42:20 GMT 2025

PRIMARY

CAS

98314-98-8

Created by admin on Mon Mar 31 20:42:20 GMT 2025 , Edited by admin on Mon Mar 31 20:42:20 GMT 2025

PRIMARY

PUBCHEM

5367848

Created by admin on Mon Mar 31 20:42:20 GMT 2025 , Edited by admin on Mon Mar 31 20:42:20 GMT 2025

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CAS

65737-52-2

Created by admin on Mon Mar 31 20:42:20 GMT 2025 , Edited by admin on Mon Mar 31 20:42:20 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

9G0420C2LU

Created by admin on Mon Mar 31 20:42:20 GMT 2025 , Edited by admin on Mon Mar 31 20:42:20 GMT 2025

PRIMARY

EPA CompTox

DTXSID001300423

Created by admin on Mon Mar 31 20:42:20 GMT 2025 , Edited by admin on Mon Mar 31 20:42:20 GMT 2025

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ECHA (EC/EINECS)

265-901-5

Created by admin on Mon Mar 31 20:42:20 GMT 2025 , Edited by admin on Mon Mar 31 20:42:20 GMT 2025

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