4-(5-ISOPROPENYL-2-METHYL-1-CYCLOPENTEN-1-YL)-2-BUTANONE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H20O
Molecular Weight	192.2973
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(5-ISOPROPENYL-2-METHYL-1-CYCLOPENTEN-1-YL)-2-BUTANONE

Structure Search

SMILES

CC(=O)CCC1=C(C)CCC1C(C)=C

InChI

InChIKey=DMGPXLFAXQJGKK-UHFFFAOYSA-N

InChI=1S/C13H20O/c1-9(2)12-7-5-10(3)13(12)8-6-11(4)14/h12H,1,5-8H2,2-4H3

HIDE SMILES / InChI

Molecular Formula	C13H20O
Molecular Weight	192.2973
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:01:38 GMT 2025` Edited by `admin` on `Mon Mar 31 23:01:38 GMT 2025`
Record UNII	85QS707NSO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(5-ISOPROPENYL-2-METHYL-1-CYCLOPENTEN-1-YL)-2-BUTANONE

Systematic Name

English

PENTIONE

Preferred Name

English

4-(5-ISOPROPENYL-2-METHYL-1-CYCLOPENTEN-1-YL)-2-BUTANONE [MI]

Common Name

English

4-(2-METHYL-5-ISOPROPENYL-1-CYCLOPENTEN-1-YL)-2-BUTANONE

Systematic Name

English

2-BUTANONE, 4-(2-METHYL-5-(1-METHYLETHENYL)-1-CYCLOPENTEN-1-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

85QS707NSO

Created by admin on Mon Mar 31 23:01:38 GMT 2025 , Edited by admin on Mon Mar 31 23:01:38 GMT 2025

PRIMARY

MERCK INDEX

m6520

Created by admin on Mon Mar 31 23:01:38 GMT 2025 , Edited by admin on Mon Mar 31 23:01:38 GMT 2025

PRIMARY

Merck Index

PUBCHEM

3775692

Created by admin on Mon Mar 31 23:01:38 GMT 2025 , Edited by admin on Mon Mar 31 23:01:38 GMT 2025

PRIMARY

EPA CompTox

DTXSID30396266

Created by admin on Mon Mar 31 23:01:38 GMT 2025 , Edited by admin on Mon Mar 31 23:01:38 GMT 2025

PRIMARY

CAS

87-45-6

Created by admin on Mon Mar 31 23:01:38 GMT 2025 , Edited by admin on Mon Mar 31 23:01:38 GMT 2025

PRIMARY

Related Record Type Details


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4-(5-ISOPROPENYL-2-METHYL-1-CYCLOPENTEN-1-YL)-2-BUTANONE, (S)-

ENANTIOMER -> RACEMATE

Amount: