1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-butanone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H22O
Molecular Weight	194.3132
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-butanone

Structure Search

SMILES

CCCC(=O)C1=C(C)CCCC1(C)C

InChI

InChIKey=YSNUQUZESSITCX-UHFFFAOYSA-N

InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C13H22O
Molecular Weight	194.3132
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:42:33 GMT 2025` Edited by `admin` on `Tue Apr 01 19:42:33 GMT 2025`
Record UNII	X2KD8QDW47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-butanone

Systematic Name

English

1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butan-1-one

Preferred Name

English

1-Butanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID80182616

Created by admin on Tue Apr 01 19:42:33 GMT 2025 , Edited by admin on Tue Apr 01 19:42:33 GMT 2025

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FDA UNII

X2KD8QDW47

Created by admin on Tue Apr 01 19:42:33 GMT 2025 , Edited by admin on Tue Apr 01 19:42:33 GMT 2025

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PUBCHEM

119946

Created by admin on Tue Apr 01 19:42:33 GMT 2025 , Edited by admin on Tue Apr 01 19:42:33 GMT 2025

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CAS

28384-26-1

Created by admin on Tue Apr 01 19:42:33 GMT 2025 , Edited by admin on Tue Apr 01 19:42:33 GMT 2025

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ECHA (EC/EINECS)

249-002-5

Created by admin on Tue Apr 01 19:42:33 GMT 2025 , Edited by admin on Tue Apr 01 19:42:33 GMT 2025

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