.ALPHA.,2,6,6-TETRAMETHYL-1-CYCLOHEXENE-1-BUTANAL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H24O
Molecular Weight	208.3398
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .ALPHA.,2,6,6-TETRAMETHYL-1-CYCLOHEXENE-1-BUTANAL

Structure Search

SMILES

CC(CCC1=C(C)CCCC1(C)C)C=O

InChI

InChIKey=MXNVWZZDDFIWHW-UHFFFAOYSA-N

InChI=1S/C14H24O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-11H,5-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H24O
Molecular Weight	208.3398
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 `Sat Dec 16 09:46:12 GMT 2023` Edited by `admin` on `Sat Dec 16 09:46:12 GMT 2023`
Record UNII	55RV8VAL82
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.ALPHA.,2,6,6-TETRAMETHYL-1-CYCLOHEXENE-1-BUTANAL

Systematic Name

English

1-CETONAL, (±)-

Systematic Name

English

1-CETONAL

Common Name

English

1-CYCLOHEXENE-1-BUTANAL, .ALPHA.,2,6,6-TETRAMETHYL-

Systematic Name

English

2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)BUTANA

Systematic Name

English

Code System Code Type Description

PUBCHEM

579157

Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023

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CAS

84518-22-9

Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023

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ECHA (EC/EINECS)

282-993-2

Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023

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FDA UNII

55RV8VAL82

Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023

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EPA CompTox

DTXSID50888214

Created by admin on Sat Dec 16 09:46:12 GMT 2023 , Edited by admin on Sat Dec 16 09:46:12 GMT 2023

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