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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H16O3
Molecular Weight 148.2001
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,3-Trimethoxybutane

SMILES

COCCC(C)(OC)OC

InChI

InChIKey=DIQSNTFKLAYVOT-UHFFFAOYSA-N
InChI=1S/C7H16O3/c1-7(9-3,10-4)5-6-8-2/h5-6H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C7H16O3
Molecular Weight 148.2001
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:15:51 GMT 2025
Edited
by admin
on Tue Apr 01 19:15:51 GMT 2025
Record UNII
LSR464P76K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,3-Trimethoxybutane
Systematic Name English
4-Methoxybutan-2-one-dimethylacetal
Preferred Name English
Butane, 1,3,3-trimethoxy-
Systematic Name English
Code System Code Type Description
FDA UNII
LSR464P76K
Created by admin on Tue Apr 01 19:15:51 GMT 2025 , Edited by admin on Tue Apr 01 19:15:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
229-555-9
Created by admin on Tue Apr 01 19:15:51 GMT 2025 , Edited by admin on Tue Apr 01 19:15:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID30216273
Created by admin on Tue Apr 01 19:15:51 GMT 2025 , Edited by admin on Tue Apr 01 19:15:51 GMT 2025
PRIMARY
PUBCHEM
81084
Created by admin on Tue Apr 01 19:15:51 GMT 2025 , Edited by admin on Tue Apr 01 19:15:51 GMT 2025
PRIMARY
CAS
6607-66-5
Created by admin on Tue Apr 01 19:15:51 GMT 2025 , Edited by admin on Tue Apr 01 19:15:51 GMT 2025
PRIMARY