3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE, (2Z)-

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H20O
Molecular Weight	192.2973
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE, (2Z)-

Structure Search

SMILES

C\C=C/CC1=C(C)C(=O)CCC1(C)C

InChI

InChIKey=CVDHBGKYPTUEAA-WAYWQWQTSA-N

InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-

HIDE SMILES / InChI

Molecular Formula	C13H20O
Molecular Weight	192.2973
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:45:24 GMT 2025` Edited by `admin` on `Mon Mar 31 19:45:24 GMT 2025`
Record UNII	HLT92D5DPQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

MEGASTIGMA-5,8(Z)-DIEN-4-ONE

Preferred Name

English

3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE, (2Z)-

Systematic Name

English

(Z)-3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE

Systematic Name

English

CYCLOHEXEN-1-ONE, 3-(2Z)-2-BUTENYL-2,4,4-TRIMETHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

266-682-9

Created by admin on Mon Mar 31 19:45:24 GMT 2025 , Edited by admin on Mon Mar 31 19:45:24 GMT 2025

PRIMARY

EPA CompTox

DTXSID001308439

Created by admin on Mon Mar 31 19:45:24 GMT 2025 , Edited by admin on Mon Mar 31 19:45:24 GMT 2025

PRIMARY

PUBCHEM

14109911

Created by admin on Mon Mar 31 19:45:24 GMT 2025 , Edited by admin on Mon Mar 31 19:45:24 GMT 2025

PRIMARY

FDA UNII

HLT92D5DPQ

Created by admin on Mon Mar 31 19:45:24 GMT 2025 , Edited by admin on Mon Mar 31 19:45:24 GMT 2025

PRIMARY

CAS

67401-25-6

Created by admin on Mon Mar 31 19:45:24 GMT 2025 , Edited by admin on Mon Mar 31 19:45:24 GMT 2025

PRIMARY