(R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate

C27H44BF4P2Rh- — CID 11319538

About (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate

(R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate (PubChem CID 11319538) has the molecular formula C27H44BF4P2Rh- and a molecular weight of 620.31 g/mol. Its IUPAC name is (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate.

Molecular Properties

• Compound Name: (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate
• PubChem CID: 11319538
• Molecular Formula: C27H44BF4P2Rh-
• Molecular Weight: 620.31 g/mol
• Exact Mass: 620.20
• IUPAC Name: (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate
• SMILES: C1=CC2C=CC1C2.C[P@](CC[P@](C)C1CCCCC1)C12CC3CC(CC(C3)C1)C2.F[B-](F)(F)F.[Rh]
• InChI: InChI=1S/C20H36P2.C7H8.BF4.Rh/c1-21(19-6-4-3-5-7-19)8-9-22(2)20-13-16-10-17(14-20)12-18(11-16)15-20;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h16-19H,3-15H2,1-2H3;1-4,6-7H,5H2;;/q;;-1;/t16?,17?,18?,20?,21-,22+;;;/m0.../s1
• InChIKey: MFBIPERJNJASKD-KPWHCFKSSA-N
• XLogP: 9.56
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.31
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate?

The IUPAC name of (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate (CID 11319538) is (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate.

What is the SMILES notation for (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate?

The canonical SMILES for (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate is C1=CC2C=CC1C2.C[P@](CC[P@](C)C1CCCCC1)C12CC3CC(CC(C3)C1)C2.F[B-](F)(F)F.[Rh].

What is the InChIKey of (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate?

The InChIKey is MFBIPERJNJASKD-KPWHCFKSSA-N. The full InChI is InChI=1S/C20H36P2.C7H8.BF4.Rh/c1-21(19-6-4-3-5-7-19)8-9-22(2)20-13-16-10-17(14-20)12-18(11-16)15-20;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h16-19H,3-15H2,1-2H3;1-4,6-7H,5H2;;/q;;-1;/t16?,17?,18?,20?,21-,22+;;;/m0.../s1.

What are the key properties of (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate?

(R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate has a molecular weight of 620.31 g/mol, XLogP of 9.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-1-adamantyl-[2-[cyclohexyl(methyl)phosphanyl]ethyl]-methylphosphane;bicyclo[2.2.1]hepta-2,5-diene;rhodium;tetrafluoroborate is sourced from PubChem (CID 11319538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).