2,2,4-Trimethyl-4-octanol

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H24O
Molecular Weight	172.3077
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2,4-Trimethyl-4-octanol

Structure Search

SMILES

CCCCC(C)(O)CC(C)(C)C

InChI

InChIKey=VVIJBRRLPBEDNH-UHFFFAOYSA-N

InChI=1S/C11H24O/c1-6-7-8-11(5,12)9-10(2,3)4/h12H,6-9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula	C11H24O
Molecular Weight	172.3077
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 `Wed Apr 02 11:19:26 GMT 2025` Edited by `admin` on `Wed Apr 02 11:19:26 GMT 2025`
Record UNII	QE8BRQ72CP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-922

Preferred Name

English

2,2,4-Trimethyl-4-octanol

Systematic Name

English

2,2,4-Trimethyloctan-4-ol

Systematic Name

English

4-Octanol, 2,2,4-trimethyl-

Systematic Name

English

Code System Code Type Description

NSC

922

Created by admin on Wed Apr 02 11:19:26 GMT 2025 , Edited by admin on Wed Apr 02 11:19:26 GMT 2025

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CAS

5340-54-5

Created by admin on Wed Apr 02 11:19:26 GMT 2025 , Edited by admin on Wed Apr 02 11:19:26 GMT 2025

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EPA CompTox

DTXSID60277130

Created by admin on Wed Apr 02 11:19:26 GMT 2025 , Edited by admin on Wed Apr 02 11:19:26 GMT 2025

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FDA UNII

QE8BRQ72CP

Created by admin on Wed Apr 02 11:19:26 GMT 2025 , Edited by admin on Wed Apr 02 11:19:26 GMT 2025

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PUBCHEM

219515

Created by admin on Wed Apr 02 11:19:26 GMT 2025 , Edited by admin on Wed Apr 02 11:19:26 GMT 2025

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