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

Details

Stereochemistry RACEMIC
Molecular Formula C38H76O2
Molecular Weight 565.0088
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2- OCTYLDODECYL 2-OCTYLDECANOATE

SMILES

CCCCCCCCCCC(CCCCCCCC)COC(=O)C(CCCCCCCC)CCCCCCCC

InChI

InChIKey=STCLVKYWXWEJCH-UHFFFAOYSA-N
InChI=1S/C38H76O2/c1-5-9-13-17-21-22-24-28-32-36(31-27-23-18-14-10-6-2)35-40-38(39)37(33-29-25-19-15-11-7-3)34-30-26-20-16-12-8-4/h36-37H,5-35H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C38H76O2
Molecular Weight 565.0088
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 Fri Dec 15 15:53:03 GMT 2023
Edited
by admin
on Fri Dec 15 15:53:03 GMT 2023
Record UNII
ODH6N628TK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2- OCTYLDODECYL 2-OCTYLDECANOATE
Systematic Name English
DECANOIC ACID, 2-OCTYL-, 2-OCTYLDODECYL ESTER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70894731
Created by admin on Fri Dec 15 15:53:03 GMT 2023 , Edited by admin on Fri Dec 15 15:53:03 GMT 2023
PRIMARY
FDA UNII
ODH6N628TK
Created by admin on Fri Dec 15 15:53:03 GMT 2023 , Edited by admin on Fri Dec 15 15:53:03 GMT 2023
PRIMARY
CAS
181765-12-8
Created by admin on Fri Dec 15 15:53:03 GMT 2023 , Edited by admin on Fri Dec 15 15:53:03 GMT 2023
PRIMARY
PUBCHEM
137321939
Created by admin on Fri Dec 15 15:53:03 GMT 2023 , Edited by admin on Fri Dec 15 15:53:03 GMT 2023
PRIMARY