Basic information
- CAS
18672-39-4- Standard SMILES
CCCCCCCCC(I)CCCCCCCCC(=O)OCC- InChIKey
ZDORCXWMEMTHDD-UHFFFAOYSA-N- Molecular formula
- C20H39IO2
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 438.19948
Overview
mixture of ethyl esters of 9- & 10-iodostearic acid
Names & identifiers
- Preferred name
- Octadecanoic acid, 9(or 10)-iodo-, ethyl ester
- IUPAC
- ethyl 10-iodooctadecanoate
- English name
- ethyl 9(or 10)-iodooctadecanoate
- Molecular formula
- C20H39IO2
- Molecular weight
- 0
Names & synonyms
Ethyl iodostearate10L756ED3Y9(or 10)-Iodooctadecanoic acid, ethyl ester29611-66-3RefChem:138497OCTADECANOIC ACID, 9(OR 10)-IODO-, ETHYL ESTER249-728-2Ethyl 10-iodostearateUNII-6K4RSM9B6P6K4RSM9B6POctadecanoic acid, 10-iodo-, ethyl ester18672-39-4
Show more names
UNII-10L756ED3YSCHEMBL25490306DTXSID101043189Ethyl 9(or 10)-iodooctadecanoateEINECS 249-728-2NS00127148Q27265032
Database identifiers
- CAS
18672-39-4、29611-66-3- PubChem CID
- 94404
- DTXSID
DTXSID101043189- UNII
- 6K4RSM9B6P
- EC Number
- 249-728-2
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- FDA UNII
- 10 L756ED3Y · 10L756ED3Y
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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