dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate

C27H52B2F8P2 — CID 159706094

IUPACdicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate
SMILESCC(C)(P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.F[B-](F)(F)F.F[B-](F)(F)F.[H+].[H+]
InChIInChI=1S/C27H50P2.2BF4/c1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*2-1(3,4)5/h23-26H,3-22H2,1-2H3;;/q;2*-1/p+2
InChIKeyMYFQXXRZHPVIFP-UHFFFAOYSA-P
MW612.27 g/mol
LogP12.84
Rot. Bonds6

About dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate

dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate (PubChem CID 159706094) has the molecular formula C27H52B2F8P2 and a molecular weight of 612.27 g/mol. Its IUPAC name is dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate.

Molecular Properties

Compound Namedicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate
PubChem CID159706094
Molecular FormulaC27H52B2F8P2
Molecular Weight612.27 g/mol
Exact Mass612.36
IUPAC Namedicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate
SMILESCC(C)(P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.F[B-](F)(F)F.F[B-](F)(F)F.[H+].[H+]
InChIInChI=1S/C27H50P2.2BF4/c1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*2-1(3,4)5/h23-26H,3-22H2,1-2H3;;/q;2*-1/p+2
InChIKeyMYFQXXRZHPVIFP-UHFFFAOYSA-P
XLogP12.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.27
LogP ≤ 512.84
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 dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate?
The IUPAC name of dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate (CID 159706094) is dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate.
What is the SMILES notation for dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate?
The canonical SMILES for dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate is CC(C)(P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.F[B-](F)(F)F.F[B-](F)(F)F.[H+].[H+].
What is the InChIKey of dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate?
The InChIKey is MYFQXXRZHPVIFP-UHFFFAOYSA-P. The full InChI is InChI=1S/C27H50P2.2BF4/c1-27(2,28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*2-1(3,4)5/h23-26H,3-22H2,1-2H3;;/q;2*-1/p+2.
What are the key properties of dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate?
dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate has a molecular weight of 612.27 g/mol, XLogP of 12.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(2-dicyclohexylphosphanylpropan-2-yl)phosphane;hydron;ditetrafluoroborate is sourced from PubChem (CID 159706094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).