(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane

C18H20F16I2Si2 — CID 54484558

IUPAC(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-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(F)(F)C(F)(F)C=C(I)[Si](C)(C)C
InChIInChI=1S/C18H20F16I2Si2/c1-37(2,3)9(35)7-11(19,20)13(23,24)15(27,28)17(31,32)18(33,34)16(29,30)14(25,26)12(21,22)8-10(36)38(4,5)6/h7-8H,1-6H3
InChIKeyXRJVWVVYOOBJEO-UHFFFAOYSA-N
MW850.31 g/mol
LogP10.46
Rot. Bonds11

About (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane

(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane (PubChem CID 54484558) has the molecular formula C18H20F16I2Si2 and a molecular weight of 850.31 g/mol. Its IUPAC name is (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane.

Molecular Properties

Compound Name(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane
PubChem CID54484558
Molecular FormulaC18H20F16I2Si2
Molecular Weight850.31 g/mol
Exact Mass849.89
IUPAC Name(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-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(F)(F)C(F)(F)C=C(I)[Si](C)(C)C
InChIInChI=1S/C18H20F16I2Si2/c1-37(2,3)9(35)7-11(19,20)13(23,24)15(27,28)17(31,32)18(33,34)16(29,30)14(25,26)12(21,22)8-10(36)38(4,5)6/h7-8H,1-6H3
InChIKeyXRJVWVVYOOBJEO-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.31
LogP ≤ 510.46
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 (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane?
The IUPAC name of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane (CID 54484558) is (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane.
What is the SMILES notation for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane?
The canonical SMILES for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-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(F)(F)C(F)(F)C=C(I)[Si](C)(C)C.
What is the InChIKey of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane?
The InChIKey is XRJVWVVYOOBJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F16I2Si2/c1-37(2,3)9(35)7-11(19,20)13(23,24)15(27,28)17(31,32)18(33,34)16(29,30)14(25,26)12(21,22)8-10(36)38(4,5)6/h7-8H,1-6H3.
What are the key properties of (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane?
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane has a molecular weight of 850.31 g/mol, XLogP of 10.46, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,12-diiodo-12-trimethylsilyldodeca-1,11-dienyl)-trimethylsilane is sourced from PubChem (CID 54484558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).