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

Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-METHYLHEXYL)-1,3-DIOXOLANE

SMILES

CCCCC(C)CC1OCCO1

InChI

InChIKey=ZFHUCYSXTQCMMB-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-3-4-5-9(2)8-10-11-6-7-12-10/h9-10H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
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 Sat Dec 16 19:07:14 GMT 2023
Edited
by admin
on Sat Dec 16 19:07:14 GMT 2023
Record UNII
S78L58T558
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-METHYLHEXYL)-1,3-DIOXOLANE
Systematic Name English
1,3-Dioxolane, 2-(2-methylhexyl)-
Systematic Name English
Code System Code Type Description
CAS
85098-79-9
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
PRIMARY
PUBCHEM
11970893
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID40100546
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
PRIMARY
FDA UNII
S78L58T558
Created by admin on Sat Dec 16 19:07:14 GMT 2023 , Edited by admin on Sat Dec 16 19:07:14 GMT 2023
PRIMARY