tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate

C16H32BF4P — CID 45141708

IUPACtert-butyl(dicyclohexyl)phosphanium tetrafluoroborate
SMILESCC(C)(C)[PH+](C1CCCCC1)C1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C16H31P.BF4/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)5/h14-15H,4-13H2,1-3H3;/q;-1/p+1
InChIKeyXOMLPCCNVCCMRG-UHFFFAOYSA-O
MW342.21 g/mol
LogP6.96
Rot. Bonds2

About tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate

tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate (PubChem CID 45141708) has the molecular formula C16H32BF4P and a molecular weight of 342.21 g/mol. Its IUPAC name is tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametert-butyl(dicyclohexyl)phosphanium tetrafluoroborate
PubChem CID45141708
Molecular FormulaC16H32BF4P
Molecular Weight342.21 g/mol
Exact Mass342.23
IUPAC Nametert-butyl(dicyclohexyl)phosphanium tetrafluoroborate
SMILESCC(C)(C)[PH+](C1CCCCC1)C1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C16H31P.BF4/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)5/h14-15H,4-13H2,1-3H3;/q;-1/p+1
InChIKeyXOMLPCCNVCCMRG-UHFFFAOYSA-O
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.21
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate?
The IUPAC name of tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate (CID 45141708) is tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate.
What is the SMILES notation for tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate?
The canonical SMILES for tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate is CC(C)(C)[PH+](C1CCCCC1)C1CCCCC1.F[B-](F)(F)F.
What is the InChIKey of tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate?
The InChIKey is XOMLPCCNVCCMRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H31P.BF4/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;2-1(3,4)5/h14-15H,4-13H2,1-3H3;/q;-1/p+1.
What are the key properties of tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate?
tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate has a molecular weight of 342.21 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(dicyclohexyl)phosphanium tetrafluoroborate is sourced from PubChem (CID 45141708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).