1-(2,5,5-Trimethylcycloheptyl)ethanone

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H22O
Molecular Weight	182.3025
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2,5,5-Trimethylcycloheptyl)ethanone

Structure Search

SMILES

CC1CCC(C)(C)CCC1C(C)=O

InChI

InChIKey=JWSPCHBTDQQQMM-UHFFFAOYSA-N

InChI=1S/C12H22O/c1-9-5-7-12(3,4)8-6-11(9)10(2)13/h9,11H,5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C12H22O
Molecular Weight	182.3025
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:01:15 GMT 2025` Edited by `admin` on `Mon Mar 31 22:01:15 GMT 2025`
Record UNII	9KZ2S8K6M6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2,5,5-Trimethylcycloheptyl)ethanone

Systematic Name

English

Ethanone, 1-(2,5,5-trimethylcycloheptyl)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

90910

Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025

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FDA UNII

9KZ2S8K6M6

Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025

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CAS

23361-88-8

Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025

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ECHA (EC/EINECS)

245-611-5

Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025

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EPA CompTox

DTXSID60865091

Created by admin on Mon Mar 31 22:01:15 GMT 2025 , Edited by admin on Mon Mar 31 22:01:15 GMT 2025

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