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

Details

Stereochemistry MIXED
Molecular Formula C52H102N2O4
Molecular Weight 819.3773
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIOCTYLDODECYL ISOPHORONE DIISOCYANATE

SMILES

CCCCCCCCCCC(CCCCCCCC)COC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)OCC(CCCCCCCC)CCCCCCCCCC

InChI

InChIKey=AWOTXJMTZAPRFT-UHFFFAOYSA-N
InChI=1S/C52H102N2O4/c1-8-12-16-20-24-26-30-34-37-46(36-32-28-22-18-14-10-3)42-57-49(55)53-45-52(7)41-48(40-51(5,6)44-52)54-50(56)58-43-47(38-33-29-23-19-15-11-4)39-35-31-27-25-21-17-13-9-2/h46-48H,8-45H2,1-7H3,(H,53,55)(H,54,56)

HIDE SMILES / InChI

Molecular Formula C52H102N2O4
Molecular Weight 819.3773
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:58:08 GMT 2023
Edited
by admin
on Sat Dec 16 01:58:08 GMT 2023
Record UNII
KT9IP8I17R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIOCTYLDODECYL ISOPHORONE DIISOCYANATE
Common Name English
DIOCTYLDODECYL IPDI, (±)-
Common Name English
CARBAMIC ACID, ((1,3,3-TRIMETHYL-5-((((2-OCTYLDODECYL)OXY)CARBONYL)AMINO)CYCLOHEXYL)METHYL)-, 2-OCTYLDODECYL ESTER
Common Name English
DIOCTYLDODECYL IPDI
INCI  
INCI  
Official Name English
DIOCTYLDODECYL IPDI [INCI]
Common Name English
MONODERM I-20
Brand Name English
(±)-DIOCTYLDODECYL IPDI
Common Name English
Code System Code Type Description
PUBCHEM
59172071
Created by admin on Sat Dec 16 01:58:09 GMT 2023 , Edited by admin on Sat Dec 16 01:58:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID30939970
Created by admin on Sat Dec 16 01:58:09 GMT 2023 , Edited by admin on Sat Dec 16 01:58:09 GMT 2023
PRIMARY
CAS
185458-75-7
Created by admin on Sat Dec 16 01:58:09 GMT 2023 , Edited by admin on Sat Dec 16 01:58:09 GMT 2023
PRIMARY
FDA UNII
KT9IP8I17R
Created by admin on Sat Dec 16 01:58:09 GMT 2023 , Edited by admin on Sat Dec 16 01:58:09 GMT 2023
PRIMARY