2,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadiene-1-one

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H24O
Molecular Weight	232.3612
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadiene-1-one

Structure Search

SMILES

CC=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C

InChI

InChIKey=KEJPWCIDZLVYDJ-UHFFFAOYSA-N

InChI=1S/C16H24O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h8-10H,1-7H3

HIDE SMILES / InChI

Molecular Formula	C16H24O
Molecular Weight	232.3612
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 17:48:33 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:33 GMT 2025`
Record UNII	56C43WA7V2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadiene-1-one

Systematic Name

English

NSC-14452

Preferred Name

English

2,5-Cyclohexadien-1-one, 2,6-di-tert-butyl-4-ethylidene-

Systematic Name

English

2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-ethylidene-

Systematic Name

English

NSC-87400

Code

English

2,6-Di-tert-butyl-4-ethylidenecyclohexa-2,5-en-1-one

Common Name

English

2,6-Bis(1,1-dimethylethyl)-4-ethylidene-2,5-cyclohexadiene-1-on

Systematic Name

English

Code System Code Type Description

FDA UNII

56C43WA7V2

Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025

PRIMARY

CAS

6738-27-8

Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025

PRIMARY

EPA CompTox

DTXSID5064465

Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025

PRIMARY

NSC

14452

Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025

PRIMARY

PUBCHEM

95039

Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025

PRIMARY

ECHA (EC/EINECS)

229-795-4

Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025

PRIMARY

NSC

87400

Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025

PRIMARY