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Details

Stereochemistry RACEMIC
Molecular Formula C9H20
Molecular Weight 128.2551
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,4-TRIMETHYLHEXANE

SMILES

CCC(C)CC(C)(C)C

InChI

InChIKey=AFTPEBDOGXRMNQ-UHFFFAOYSA-N
InChI=1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C9H20
Molecular Weight 128.2551
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Partition coefficients for nonane and its isomers in the rat.
2010-11
L-lysine based gemini organogelators: their organogelation properties and thermally stable organogels.
2003-11-21
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:24:19 GMT 2025
Edited
by admin
on Mon Mar 31 22:24:19 GMT 2025
Record UNII
68L13E286X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-2,2,4-TRIMETHYLHEXANE
Preferred Name English
2,2,4-TRIMETHYLHEXANE
Systematic Name English
HEXANE, 2,2,4-TRIMETHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
68L13E286X
Created by admin on Mon Mar 31 22:24:19 GMT 2025 , Edited by admin on Mon Mar 31 22:24:19 GMT 2025
PRIMARY
ECHA (EC/EINECS)
240-807-7
Created by admin on Mon Mar 31 22:24:19 GMT 2025 , Edited by admin on Mon Mar 31 22:24:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID30868211
Created by admin on Mon Mar 31 22:24:19 GMT 2025 , Edited by admin on Mon Mar 31 22:24:19 GMT 2025
PRIMARY
PUBCHEM
28022
Created by admin on Mon Mar 31 22:24:19 GMT 2025 , Edited by admin on Mon Mar 31 22:24:19 GMT 2025
PRIMARY
CAS
16747-26-5
Created by admin on Mon Mar 31 22:24:19 GMT 2025 , Edited by admin on Mon Mar 31 22:24:19 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE