1-(3,5,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-1-PENTEN-3-ONE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C14H22O
Molecular Weight	206.3239
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-(3,5,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-1-PENTEN-3-ONE

Structure Search

SMILES

CCC(=O)\C=C\C1CC(C)=CC(C)C1C

InChI

InChIKey=BDPMZGRDZVBAGE-VOTSOKGWSA-N

InChI=1S/C14H22O/c1-5-14(15)7-6-13-9-10(2)8-11(3)12(13)4/h6-8,11-13H,5,9H2,1-4H3/b7-6+

HIDE SMILES / InChI

Molecular Formula	C14H22O
Molecular Weight	206.3239
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:33:50 GMT 2023` Edited by `admin` on `Sat Dec 16 08:33:50 GMT 2023`
Record UNII	V0Z60YM36T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(3,5,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-1-PENTEN-3-ONE

Systematic Name

English

1-PENTEN-3-ONE, 1-(3,5,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90867341

Created by admin on Sat Dec 16 08:33:50 GMT 2023 , Edited by admin on Sat Dec 16 08:33:50 GMT 2023

PRIMARY

CAS

67801-32-5

Created by admin on Sat Dec 16 08:33:50 GMT 2023 , Edited by admin on Sat Dec 16 08:33:50 GMT 2023

PRIMARY

ECHA (EC/EINECS)

267-153-5

Created by admin on Sat Dec 16 08:33:50 GMT 2023 , Edited by admin on Sat Dec 16 08:33:50 GMT 2023

PRIMARY

PUBCHEM

6437272

Created by admin on Sat Dec 16 08:33:50 GMT 2023 , Edited by admin on Sat Dec 16 08:33:50 GMT 2023

PRIMARY

FDA UNII

V0Z60YM36T

Created by admin on Sat Dec 16 08:33:50 GMT 2023 , Edited by admin on Sat Dec 16 08:33:50 GMT 2023

PRIMARY