trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane

C13H11F13Si — CID 11797444

IUPACtrimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F13Si/c1-27(2,3)7-5-4-6-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h4,6H,1-3H3/b6-4+
InChIKeyXCIVTIJFNADRBP-GQCTYLIASA-N
MW442.29 g/mol
LogP6.16
Rot. Bonds5

About trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane

trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane (PubChem CID 11797444) has the molecular formula C13H11F13Si and a molecular weight of 442.29 g/mol. Its IUPAC name is trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane
PubChem CID11797444
Molecular FormulaC13H11F13Si
Molecular Weight442.29 g/mol
Exact Mass442.04
IUPAC Nametrimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane
SMILESC[Si](C)(C)C#C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F13Si/c1-27(2,3)7-5-4-6-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h4,6H,1-3H3/b6-4+
InChIKeyXCIVTIJFNADRBP-GQCTYLIASA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.29
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-pentadecafluoroundec-3-en-1-ynyl]silane
CID 10601178

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane (CID 11797444) is trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane is C[Si](C)(C)C#C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane?
The InChIKey is XCIVTIJFNADRBP-GQCTYLIASA-N. The full InChI is InChI=1S/C13H11F13Si/c1-27(2,3)7-5-4-6-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h4,6H,1-3H3/b6-4+.
What are the key properties of trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane?
trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane has a molecular weight of 442.29 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodec-3-en-1-ynyl]silane is sourced from PubChem (CID 11797444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).