(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane

C16H20F12I2Si2 — CID 54530548

IUPAC(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane
SMILESC[Si](C)(C)C(I)=CC(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/C16H20F12I2Si2/c1-31(2,3)9(29)7-11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)8-10(30)32(4,5)6/h7-8H,1-6H3
InChIKeyYWFIVSFIUWTUJB-UHFFFAOYSA-N
MW750.29 g/mol
LogP9.19
Rot. Bonds9

About (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane

(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane (PubChem CID 54530548) has the molecular formula C16H20F12I2Si2 and a molecular weight of 750.29 g/mol. Its IUPAC name is (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane.

Molecular Properties

Compound Name(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane
PubChem CID54530548
Molecular FormulaC16H20F12I2Si2
Molecular Weight750.29 g/mol
Exact Mass749.90
IUPAC Name(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane
SMILESC[Si](C)(C)C(I)=CC(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/C16H20F12I2Si2/c1-31(2,3)9(29)7-11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)8-10(30)32(4,5)6/h7-8H,1-6H3
InChIKeyYWFIVSFIUWTUJB-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.29
LogP ≤ 59.19
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'}

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Frequently Asked Questions

What is the IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane (CID 54530548) is (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane.
What is the SMILES notation for (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane?
The canonical SMILES for (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane is C[Si](C)(C)C(I)=CC(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 (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane?
The InChIKey is YWFIVSFIUWTUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F12I2Si2/c1-31(2,3)9(29)7-11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)8-10(30)32(4,5)6/h7-8H,1-6H3.
What are the key properties of (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane?
(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane has a molecular weight of 750.29 g/mol, XLogP of 9.19, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiodo-10-trimethylsilyldeca-1,9-dienyl)-trimethylsilane is sourced from PubChem (CID 54530548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).