5-CARBOXY-4-HEXYL-2-CYCLOHEXENE-1-OCTANOIC ACID

Details

Stereochemistry	MIXED
Molecular Formula	C21H36O4
Molecular Weight	352.5081
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-CARBOXY-4-HEXYL-2-CYCLOHEXENE-1-OCTANOIC ACID

Structure Search

SMILES

CCCCCCC1C=CC(CCCCCCCC(O)=O)CC1C(O)=O

InChI

InChIKey=RYKIXDBAIYMFDV-UHFFFAOYSA-N

InChI=1S/C21H36O4/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25)

HIDE SMILES / InChI

Molecular Formula	C21H36O4
Molecular Weight	352.5081
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:22:44 GMT 2025` Edited by `admin` on `Mon Mar 31 21:22:44 GMT 2025`
Record UNII	FG93I77V75
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

5-CARBOXY-4-HEXYL-2-CYCLOHEXENE-1-OCTANOIC ACID

Systematic Name

English

2-CYCLOHEXENE-1-OCTANOIC ACID, 5-CARBOXY-4-HEXYL-

Preferred Name

English

1-CARBOXY-2-HEXYL-5-(7-CARBOXYHEPTYL)CYCLOHEX-3-ENE

Systematic Name

English

(±)-5-CARBOXY-4-HEXYL-2-CYCLOHEXENE-1-OCTANOIC ACID

Systematic Name

English

8-(5-CARBOXY-4-HEXYL-2-CYCLOHEXEN-1-YL)OCTANOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

FG93I77V75

Created by admin on Mon Mar 31 21:22:44 GMT 2025 , Edited by admin on Mon Mar 31 21:22:44 GMT 2025

PRIMARY

PUBCHEM

105841

Created by admin on Mon Mar 31 21:22:44 GMT 2025 , Edited by admin on Mon Mar 31 21:22:44 GMT 2025

PRIMARY

CAS

42763-47-3

Created by admin on Mon Mar 31 21:22:44 GMT 2025 , Edited by admin on Mon Mar 31 21:22:44 GMT 2025

PRIMARY

EPA CompTox

DTXSID90880414

Created by admin on Mon Mar 31 21:22:44 GMT 2025 , Edited by admin on Mon Mar 31 21:22:44 GMT 2025

PRIMARY