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Details

Stereochemistry ACHIRAL
Molecular Formula C8H18O
Molecular Weight 130.2279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL ETHER

SMILES

CC(C)COCC(C)C

InChI

InChIKey=SZNYYWIUQFZLLT-UHFFFAOYSA-N
InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C8H18O
Molecular Weight 130.2279
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT.
2009-09
The pressure- and temperature-induced wetting transitions in the binary water + ethylene glycol monoisobutyl ether mixture.
2006-06-22
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:21:37 GMT 2025
Edited
by admin
on Mon Mar 31 21:21:37 GMT 2025
Record UNII
02BSW514GR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL ETHER
MI  
Systematic Name English
ISOBUTYL ETHER [MI]
Preferred Name English
1,1'-OXYBIS(2-METHYLPROPANE)
Systematic Name English
DI-2-BUTYL ETHER
Systematic Name English
DIISOBUTYL ETHER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
211-045-2
Created by admin on Mon Mar 31 21:21:37 GMT 2025 , Edited by admin on Mon Mar 31 21:21:37 GMT 2025
PRIMARY
CAS
628-55-7
Created by admin on Mon Mar 31 21:21:37 GMT 2025 , Edited by admin on Mon Mar 31 21:21:37 GMT 2025
PRIMARY
MERCK INDEX
m6457
Created by admin on Mon Mar 31 21:21:37 GMT 2025 , Edited by admin on Mon Mar 31 21:21:37 GMT 2025
PRIMARY Merck Index
FDA UNII
02BSW514GR
Created by admin on Mon Mar 31 21:21:37 GMT 2025 , Edited by admin on Mon Mar 31 21:21:37 GMT 2025
PRIMARY
PUBCHEM
12346
Created by admin on Mon Mar 31 21:21:37 GMT 2025 , Edited by admin on Mon Mar 31 21:21:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID0060856
Created by admin on Mon Mar 31 21:21:37 GMT 2025 , Edited by admin on Mon Mar 31 21:21:37 GMT 2025
PRIMARY