U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H26O2
Molecular Weight 202.3336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Isobutyl-2-isopropyl-1,3-dimethoxypropane

SMILES

COCC(COC)(CC(C)C)C(C)C

InChI

InChIKey=RGHIYOCUMCUWAQ-UHFFFAOYSA-N
InChI=1S/C12H26O2/c1-10(2)7-12(8-13-5,9-14-6)11(3)4/h10-11H,7-9H2,1-6H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Hexane, 3,3-bis(methoxymethyl)-2,5-dimethyl-
Preferred Name English
2-Isobutyl-2-isopropyl-1,3-dimethoxypropane
Systematic Name English
3,3-Bis(methoxymethyl)-2,5-dimethylhexane
Systematic Name English
Code System Code Type Description
PUBCHEM
11138158
Created by admin on Mon Mar 31 21:51:32 GMT 2025 , Edited by admin on Mon Mar 31 21:51:32 GMT 2025
PRIMARY
CAS
129228-21-3
Created by admin on Mon Mar 31 21:51:32 GMT 2025 , Edited by admin on Mon Mar 31 21:51:32 GMT 2025
PRIMARY
FDA UNII
ZQJ4L27DN6
Created by admin on Mon Mar 31 21:51:32 GMT 2025 , Edited by admin on Mon Mar 31 21:51:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID80456581
Created by admin on Mon Mar 31 21:51:32 GMT 2025 , Edited by admin on Mon Mar 31 21:51:32 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966