1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 10-iodooctadecanoate

2.1.2 InChI

InChI=1S/C20H39IO2/c1-3-5-6-7-10-13-16-19(21)17-14-11-8-9-12-15-18-20(22)23-4-2/h19H,3-18H2,1-2H3

2.1.3 InChI Key

ZDORCXWMEMTHDD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCC(CCCCCCCCC(=O)OCC)I

2.2 Other Identifiers

2.2.1 UNII

6K4RSM9B6P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ag 66.18

2. Duroliopaque

3. Ethyl Iodostearate

2.3.2 Depositor-Supplied Synonyms

1. 6k4rsm9b6p

2. Octadecanoic Acid, 10-iodo-, Ethyl Ester

3. 18672-39-4

4. Ethyl Iodostearate

5. Unii-6k4rsm9b6p

6. Unii-10l756ed3y

7. 10l756ed3y

8. Dtxsid101043189

9. Ethyl 9(or 10)-iodooctadecanoate

10. Einecs 249-728-2

11. 9(or 10)-iodooctadecanoic Acid, Ethyl Ester

12. Q27265032

13. 29611-66-3

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₉IO₂
Molecular Weight	438.4 g/mol
XLogP3	9.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	18
Exact Mass	438.19948 g/mol
Monoisotopic Mass	438.19948 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Ethyl 10-iodostearate