4-(2,4-Di-tert-pentylphenoxy)butanenitrile

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H31NO
Molecular Weight	301.4662
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(2,4-Di-tert-pentylphenoxy)butanenitrile

Structure Search

SMILES

CCC(C)(C)C1=CC(=C(OCCCC#N)C=C1)C(C)(C)CC

InChI

InChIKey=JEWCXPGDBLFXNE-UHFFFAOYSA-N

InChI=1S/C20H31NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,14H2,1-6H3

HIDE SMILES / InChI

Molecular Formula	C20H31NO
Molecular Weight	301.4662
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 18:56:10 GMT 2025` Edited by `admin` on `Tue Apr 01 18:56:10 GMT 2025`
Record UNII	FGX68G39DB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-

Preferred Name

English

4-(2,4-Di-tert-pentylphenoxy)butanenitrile

Systematic Name

English

4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanenitrile

Systematic Name

English

Code System Code Type Description

PUBCHEM

118935

Created by admin on Tue Apr 01 18:56:10 GMT 2025 , Edited by admin on Tue Apr 01 18:56:10 GMT 2025

PRIMARY

FDA UNII

FGX68G39DB

Created by admin on Tue Apr 01 18:56:10 GMT 2025 , Edited by admin on Tue Apr 01 18:56:10 GMT 2025

PRIMARY

ECHA (EC/EINECS)

252-942-9

Created by admin on Tue Apr 01 18:56:10 GMT 2025 , Edited by admin on Tue Apr 01 18:56:10 GMT 2025

PRIMARY

EPA CompTox

DTXSID1067962

Created by admin on Tue Apr 01 18:56:10 GMT 2025 , Edited by admin on Tue Apr 01 18:56:10 GMT 2025

PRIMARY

CAS

36268-65-2

Created by admin on Tue Apr 01 18:56:10 GMT 2025 , Edited by admin on Tue Apr 01 18:56:10 GMT 2025

PRIMARY