hydron;tricyclopentylphosphane;tetrafluoroborate

C15H28BF4P — CID 154733786

IUPAChydron;tricyclopentylphosphane;tetrafluoroborate
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C15H27P.BF4/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1(3,4)5/h13-15H,1-12H2;/q;-1/p+1
InChIKeyKTDMVANQORSVPI-UHFFFAOYSA-O
MW326.17 g/mol
LogP6.71
Rot. Bonds3

About hydron;tricyclopentylphosphane;tetrafluoroborate

hydron;tricyclopentylphosphane;tetrafluoroborate (PubChem CID 154733786) has the molecular formula C15H28BF4P and a molecular weight of 326.17 g/mol. Its IUPAC name is hydron;tricyclopentylphosphane;tetrafluoroborate.

Molecular Properties

Compound Namehydron;tricyclopentylphosphane;tetrafluoroborate
PubChem CID154733786
Molecular FormulaC15H28BF4P
Molecular Weight326.17 g/mol
Exact Mass326.20
IUPAC Namehydron;tricyclopentylphosphane;tetrafluoroborate
SMILESC1CCC(P(C2CCCC2)C2CCCC2)C1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C15H27P.BF4/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1(3,4)5/h13-15H,1-12H2;/q;-1/p+1
InChIKeyKTDMVANQORSVPI-UHFFFAOYSA-O
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.17
LogP ≤ 56.71
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 hydron;tricyclopentylphosphane;tetrafluoroborate?
The IUPAC name of hydron;tricyclopentylphosphane;tetrafluoroborate (CID 154733786) is hydron;tricyclopentylphosphane;tetrafluoroborate.
What is the SMILES notation for hydron;tricyclopentylphosphane;tetrafluoroborate?
The canonical SMILES for hydron;tricyclopentylphosphane;tetrafluoroborate is C1CCC(P(C2CCCC2)C2CCCC2)C1.F[B-](F)(F)F.[H+].
What is the InChIKey of hydron;tricyclopentylphosphane;tetrafluoroborate?
The InChIKey is KTDMVANQORSVPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27P.BF4/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1(3,4)5/h13-15H,1-12H2;/q;-1/p+1.
What are the key properties of hydron;tricyclopentylphosphane;tetrafluoroborate?
hydron;tricyclopentylphosphane;tetrafluoroborate has a molecular weight of 326.17 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tricyclopentylphosphane;tetrafluoroborate is sourced from PubChem (CID 154733786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).