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

Details

Stereochemistry MIXED
Molecular Formula C16H30O5
Molecular Weight 302.4064
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 5-HYDROXYDECANOATE

SMILES

CCCCCC(O)CCCC(=O)OCC1COC(C)(C)O1

InChI

InChIKey=REYDYLGZGYQXQP-UHFFFAOYSA-N
InChI=1S/C16H30O5/c1-4-5-6-8-13(17)9-7-10-15(18)19-11-14-12-20-16(2,3)21-14/h13-14,17H,4-12H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H30O5
Molecular Weight 302.4064
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:34:29 GMT 2025
Edited
by admin
on Mon Mar 31 20:34:29 GMT 2025
Record UNII
4V5ZZL5UWI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 5-HYDROXYDECANOATE
Systematic Name English
FEMA NO. 4611, 2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 5-HYDROXYDECANOATE-
Preferred Name English
(±)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 5-HYDROXYDECANOATE
Common Name English
DECANOIC ACID, 5-HYDROXY-, (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL ESTER
Common Name English
(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 5-HYDROXYDECANOATE, (±)-
Systematic Name English
Code System Code Type Description
CAS
172201-58-0
Created by admin on Mon Mar 31 20:34:29 GMT 2025 , Edited by admin on Mon Mar 31 20:34:29 GMT 2025
PRIMARY
FDA UNII
4V5ZZL5UWI
Created by admin on Mon Mar 31 20:34:29 GMT 2025 , Edited by admin on Mon Mar 31 20:34:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID80938099
Created by admin on Mon Mar 31 20:34:29 GMT 2025 , Edited by admin on Mon Mar 31 20:34:29 GMT 2025
PRIMARY
PUBCHEM
71587572
Created by admin on Mon Mar 31 20:34:29 GMT 2025 , Edited by admin on Mon Mar 31 20:34:29 GMT 2025
PRIMARY