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Also known as: 843666-40-0, Octadecanedioic acid mono-tert-butyl ester, 18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid, Mfcd09991735, 18-(tert-butoxy)-18-oxooctadecanoic acid), Octadecanedioic acid,1-(1,1-dimethylethyl) ester
Molecular Formula
C22H42O4
Molecular Weight
370.6  g/mol
InChI Key
WDUQJXKBWRNMKI-UHFFFAOYSA-N

CAS 843666-40-0
1 2D Structure

CAS 843666-40-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid
2.1.2 InChI
InChI=1S/C22H42O4/c1-22(2,3)26-21(25)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(23)24/h4-19H2,1-3H3,(H,23,24)
2.1.3 InChI Key
WDUQJXKBWRNMKI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 843666-40-0

2. Octadecanedioic Acid Mono-tert-butyl Ester

3. 18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic Acid

4. Mfcd09991735

5. 18-(tert-butoxy)-18-oxooctadecanoic Acid)

6. Octadecanedioic Acid,1-(1,1-dimethylethyl) Ester

7. 18-tert-butoxy-18-oxooctadecanoic Acid

8. Boc-c16-cooh

9. Schembl419352

10. Amy039

11. Dtxsid70650738

12. Bcp25718

13. Zb1003

14. Zinc16698261

15. Akos016028565

16. Hy-w045598

17. Ss-4595

18. Octadecanedioic Acid 1-tert-butyl Ester

19. Ac-32513

20. Bp-24354

21. Da-02465

22. Sy046019

23. Cs-0038601

24. Ft-0700620

25. Octadecanedioicacidmono-tert-butylester

26. Octadecanedioic Acid Mono(1,1-dimethylethyl) Ester

27. 18-[(2-methyl-2-propanyl)oxy]-18-oxooctadecanoic Acid

2.3 Create Date
2009-05-28
3 Chemical and Physical Properties
Molecular Weight 370.6 g/mol
Molecular Formula C22H42O4
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Exact Mass370.30830982 g/mol
Monoisotopic Mass370.30830982 g/mol
Topological Polar Surface Area63.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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Octadecanedioic acid mono-tert-butyl ester

CAS Number : 843666-40-0

End Use API :

About the Company : CongenPharma, founded in 2013 and headquartered in Guangzhou, is a leading manufacturer of pharmaceutical peptide intermediates, cosmetic peptides, and ingredients. With our proprietary...

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18-(tert-butoxy)-18-oxcoctadecanoic acid

CAS Number : 843666-40-0

End Use API :

About the Company : Saptagir Laboratories Private incorporated in 2016, is a manufacturer and supplier of Active Pharmaceutical Ingredients (APIs) and Intermediates for a wide range of therapeutic categori...

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