.ALPHA.-ISOMETHYLIONYL ACETATE, (2R)-(+)-

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H26O2
Molecular Weight	250.3764
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.-ISOMETHYLIONYL ACETATE, (2R)-(+)-

Structure Search

SMILES

C[C@@H](OC(C)=O)C(\C)=C\[C@H]1C(C)=CCCC1(C)C

InChI

InChIKey=TYUPZTIJMKMYHL-LEJUKPKUSA-N

InChI=1S/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h8,10,13,15H,7,9H2,1-6H3/b12-10+/t13-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H26O2
Molecular Weight	250.3764
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:02:50 GMT 2023` Edited by `admin` on `Sat Dec 16 01:02:50 GMT 2023`
Record UNII	53VC4S6U3E
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.ALPHA.-ISOMETHYLIONYL ACETATE, (2R)-(+)-

Common Name

English

3-BUTEN-2-OL, 3-METHYL-4-((1R)-2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, 2-ACETATE, (2R,3E)-

Common Name

English

FEMA NO. 3845, (2R)-(+)-

Code

English

Code System Code Type Description

CAS

945760-12-3

Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023

PRIMARY

FDA UNII

53VC4S6U3E

Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023

PRIMARY

DAILYMED

53VC4S6U3E

Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023

PRIMARY

EPA CompTox

DTXSID00241532

Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023

PRIMARY

PUBCHEM

71587887

Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023

PRIMARY