(5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate

C30H48BF4P2Rh- — CID 171038732

About (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate

(5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate (PubChem CID 171038732) has the molecular formula C30H48BF4P2Rh- and a molecular weight of 660.37 g/mol. Its IUPAC name is (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate.

Molecular Properties

• Compound Name: (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
• PubChem CID: 171038732
• Molecular Formula: C30H48BF4P2Rh-
• Molecular Weight: 660.37 g/mol
• Exact Mass: 660.23
• IUPAC Name: (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate
• SMILES: C1=CCC/C=C\CC1.CC[C@H]1CC[C@H](CC)P1c1ccccc1P1[C@@H](CC)CC[C@@H]1CC.F[B-](F)(F)F.[Rh]
• InChI: InChI=1S/C22H36P2.C8H12.BF4.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7?;;/t17-,18-,19-,20-;;;/m0.../s1
• InChIKey: XIOPHSBHVOCZMM-MJFYINRMSA-N
• XLogP: 10.57
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.37
LogP ≤ 5	10.57
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 (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?

The IUPAC name of (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate (CID 171038732) is (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate.

What is the SMILES notation for (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?

The canonical SMILES for (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate is C1=CCC/C=C\CC1.CC[C@H]1CC[C@H](CC)P1c1ccccc1P1[C@@H](CC)CC[C@@H]1CC.F[B-](F)(F)F.[Rh].

What is the InChIKey of (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?

The InChIKey is XIOPHSBHVOCZMM-MJFYINRMSA-N. The full InChI is InChI=1S/C22H36P2.C8H12.BF4.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7?;;/t17-,18-,19-,20-;;;/m0.../s1.

What are the key properties of (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate?

(5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate has a molecular weight of 660.37 g/mol, XLogP of 10.57, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate is sourced from PubChem (CID 171038732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).