[(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane

C20H20F20I2Si2 — CID 88674830

IUPAC[(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C(/I)[Si](C)(C)C
InChIInChI=1S/C20H20F20I2Si2/c1-43(2,3)9(41)7-11(21,22)13(25,26)15(29,30)17(33,34)19(37,38)20(39,40)18(35,36)16(31,32)14(27,28)12(23,24)8-10(42)44(4,5)6/h7-8H,1-6H3/b9-7-,10-8-
InChIKeyGFULEKACVTUWRY-XOHWUJONSA-N
MW950.32 g/mol
LogP11.73
Rot. Bonds13

About [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane

[(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane (PubChem CID 88674830) has the molecular formula C20H20F20I2Si2 and a molecular weight of 950.32 g/mol. Its IUPAC name is [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane
PubChem CID88674830
Molecular FormulaC20H20F20I2Si2
Molecular Weight950.32 g/mol
Exact Mass949.89
IUPAC Name[(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C(/I)[Si](C)(C)C
InChIInChI=1S/C20H20F20I2Si2/c1-43(2,3)9(41)7-11(21,22)13(25,26)15(29,30)17(33,34)19(37,38)20(39,40)18(35,36)16(31,32)14(27,28)12(23,24)8-10(42)44(4,5)6/h7-8H,1-6H3/b9-7-,10-8-
InChIKeyGFULEKACVTUWRY-XOHWUJONSA-N
XLogP11.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.32
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane?
The IUPAC name of [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane (CID 88674830) is [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane is C[Si](C)(C)/C(I)=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C(/I)[Si](C)(C)C.
What is the InChIKey of [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane?
The InChIKey is GFULEKACVTUWRY-XOHWUJONSA-N. The full InChI is InChI=1S/C20H20F20I2Si2/c1-43(2,3)9(41)7-11(21,22)13(25,26)15(29,30)17(33,34)19(37,38)20(39,40)18(35,36)16(31,32)14(27,28)12(23,24)8-10(42)44(4,5)6/h7-8H,1-6H3/b9-7-,10-8-.
What are the key properties of [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane?
[(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane has a molecular weight of 950.32 g/mol, XLogP of 11.73, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,13E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoro-1,14-diiodo-14-trimethylsilyltetradeca-1,13-dienyl]-trimethylsilane is sourced from PubChem (CID 88674830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).