dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)

C16H27F6SSb — CID 165362323

IUPACdipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)
SMILESCCC[S+](CCC)C1CC2CC1C1CC=CC21.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C16H27S.6FH.Sb/c1-3-8-17(9-4-2)16-11-12-10-15(16)14-7-5-6-13(12)14;;;;;;;/h5-6,12-16H,3-4,7-11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyKEBRHGGJFJJCGW-UHFFFAOYSA-H
MW487.21 g/mol
LogP6.17
Rot. Bonds5

About dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)

dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-) (PubChem CID 165362323) has the molecular formula C16H27F6SSb and a molecular weight of 487.21 g/mol. Its IUPAC name is dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-).

Molecular Properties

Compound Namedipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)
PubChem CID165362323
Molecular FormulaC16H27F6SSb
Molecular Weight487.21 g/mol
Exact Mass486.08
IUPAC Namedipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)
SMILESCCC[S+](CCC)C1CC2CC1C1CC=CC21.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C16H27S.6FH.Sb/c1-3-8-17(9-4-2)16-11-12-10-15(16)14-7-5-6-13(12)14;;;;;;;/h5-6,12-16H,3-4,7-11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyKEBRHGGJFJJCGW-UHFFFAOYSA-H
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.21
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)?
The IUPAC name of dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-) (CID 165362323) is dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-).
What is the SMILES notation for dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)?
The canonical SMILES for dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-) is CCC[S+](CCC)C1CC2CC1C1CC=CC21.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)?
The InChIKey is KEBRHGGJFJJCGW-UHFFFAOYSA-H. The full InChI is InChI=1S/C16H27S.6FH.Sb/c1-3-8-17(9-4-2)16-11-12-10-15(16)14-7-5-6-13(12)14;;;;;;;/h5-6,12-16H,3-4,7-11H2,1-2H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-)?
dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-) has a molecular weight of 487.21 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl(8-tricyclo[5.2.1.02,6]dec-3-enyl)sulfanium;hexafluoroantimony(1-) is sourced from PubChem (CID 165362323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).