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

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H24O
Molecular Weight	208.3398
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-pentanone

Structure Search

SMILES

CCCCC(=O)C1=C(C)CCCC1(C)C

InChI

InChIKey=HEMHFUODSZBALC-UHFFFAOYSA-N

InChI=1S/C14H24O/c1-5-6-9-12(15)13-11(2)8-7-10-14(13,3)4/h5-10H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H24O
Molecular Weight	208.3398
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 18:49:54 GMT 2025` Edited by `admin` on `Tue Apr 01 18:49:54 GMT 2025`
Record UNII	4X6Y5K9L6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Preferred Name

English

Code System Code Type Description

FDA UNII

4X6Y5K9L6U

Created by admin on Tue Apr 01 18:49:54 GMT 2025 , Edited by admin on Tue Apr 01 18:49:54 GMT 2025

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ECHA (EC/EINECS)

278-517-8

Created by admin on Tue Apr 01 18:49:54 GMT 2025 , Edited by admin on Tue Apr 01 18:49:54 GMT 2025

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EPA CompTox

DTXSID1072842

Created by admin on Tue Apr 01 18:49:54 GMT 2025 , Edited by admin on Tue Apr 01 18:49:54 GMT 2025

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PUBCHEM

173536

Created by admin on Tue Apr 01 18:49:54 GMT 2025 , Edited by admin on Tue Apr 01 18:49:54 GMT 2025

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CAS

76649-24-6

Created by admin on Tue Apr 01 18:49:54 GMT 2025 , Edited by admin on Tue Apr 01 18:49:54 GMT 2025

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