3,5,5-TRIMETHYLHEXANOYL CHLORIDE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H17ClO
Molecular Weight	176.684
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5,5-TRIMETHYLHEXANOYL CHLORIDE

Structure Search

SMILES

CC(CC(Cl)=O)CC(C)(C)C

InChI

InChIKey=GEKPNPPFAYJZRD-UHFFFAOYSA-N

InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C9H17ClO
Molecular Weight	176.684
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 22:24:01 GMT 2025` Edited by `admin` on `Mon Mar 31 22:24:01 GMT 2025`
Record UNII	Z2J193VP5M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5,5-TRIMETHYLHEXANOYL CHLORIDE

Systematic Name

English

HEXANOYLCHLORIDE,3,5,5-TRIMETHYL-

Preferred Name

English

2,4,4-TRIMETHYLHEXANOYL CHLORIDE

Systematic Name

English

3,5,5-TRIMETHYLHEXANOIC ACID CHLORIDE

Systematic Name

English

HEXANOYL CHLORIDE, 3,5,5-TRIMETHYL-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

253-168-4

Created by admin on Mon Mar 31 22:24:01 GMT 2025 , Edited by admin on Mon Mar 31 22:24:01 GMT 2025

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FDA UNII

Z2J193VP5M

Created by admin on Mon Mar 31 22:24:01 GMT 2025 , Edited by admin on Mon Mar 31 22:24:01 GMT 2025

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PUBCHEM

161929

Created by admin on Mon Mar 31 22:24:01 GMT 2025 , Edited by admin on Mon Mar 31 22:24:01 GMT 2025

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CAS

36727-29-4

Created by admin on Mon Mar 31 22:24:01 GMT 2025 , Edited by admin on Mon Mar 31 22:24:01 GMT 2025

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EPA CompTox

DTXSID0049284

Created by admin on Mon Mar 31 22:24:01 GMT 2025 , Edited by admin on Mon Mar 31 22:24:01 GMT 2025

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