.BETA.-IRONE, (+)-

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1CCC(C)=C(\C=C\C(C)=O)C1(C)C

InChI

InChIKey=BGKCUGPVLVNPSG-ANYFNZRUSA-N

InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3/b9-8+/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H22O
Molecular Weight	206.3239
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:59:06 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:06 GMT 2025`
Record UNII	Z17752202P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-.BETA.-IRONE

Preferred Name

English

.BETA.-IRONE, (+)-

Common Name

English

(R)-.BETA.-IRONE

Common Name

English

3-BUTEN-2-ONE, 4-((5R)-2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-, (3E)-

Systematic Name

English

3-BUTEN-2-ONE, 4-(2,5,6,6-TETRAMETHYL-1-CYCLOHEXEN-1-YL)-, (R-(E))-

Systematic Name

English

Code System Code Type Description

CAS

176022-08-5

Created by admin on Mon Mar 31 21:59:06 GMT 2025 , Edited by admin on Mon Mar 31 21:59:06 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

CAS

35124-15-3

Created by admin on Mon Mar 31 21:59:06 GMT 2025 , Edited by admin on Mon Mar 31 21:59:06 GMT 2025

PRIMARY

PUBCHEM

10219919

Created by admin on Mon Mar 31 21:59:06 GMT 2025 , Edited by admin on Mon Mar 31 21:59:06 GMT 2025

PRIMARY

FDA UNII

Z17752202P

Created by admin on Mon Mar 31 21:59:06 GMT 2025 , Edited by admin on Mon Mar 31 21:59:06 GMT 2025

PRIMARY