N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate

C55H77BF4NO6P2RhSi- — CID 10986009

About N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate

N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate (PubChem CID 10986009) has the molecular formula C55H77BF4NO6P2RhSi- and a molecular weight of 1127.97 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate.

Molecular Properties

• Compound Name: N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
• PubChem CID: 10986009
• Molecular Formula: C55H77BF4NO6P2RhSi-
• Molecular Weight: 1127.97 g/mol
• Exact Mass: 1127.41
• IUPAC Name: N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate
• SMILES: C1=C\CC/C=C\CC/1.CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]1NC(C)=O.F[B-](F)(F)F.[Rh]
• InChI: InChI=1S/C47H65NO6P2Si.C8H12.BF4.Rh/c1-29-16-30(2)21-38(20-29)55(39-22-31(3)17-32(4)23-39)53-44-42(28-51-57(14,15)47(10,11)12)52-46(50-13)43(48-37(9)49)45(44)54-56(40-24-33(5)18-34(6)25-40)41-26-35(7)19-36(8)27-41;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h16-27,42-46H,28H2,1-15H3,(H,48,49);1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t42-,43-,44-,45-,46-;;;/m1.../s1
• InChIKey: QHGOSWMJBNMVMV-JMQWFRTISA-N
• XLogP: 13.19
• TPSA: 75.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.97
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?

The IUPAC name of N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate (CID 10986009) is N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate.

What is the SMILES notation for N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?

The canonical SMILES for N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate is C1=C\CC/C=C\CC/1.CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H](OP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]1NC(C)=O.F[B-](F)(F)F.[Rh].

What is the InChIKey of N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?

The InChIKey is QHGOSWMJBNMVMV-JMQWFRTISA-N. The full InChI is InChI=1S/C47H65NO6P2Si.C8H12.BF4.Rh/c1-29-16-30(2)21-38(20-29)55(39-22-31(3)17-32(4)23-39)53-44-42(28-51-57(14,15)47(10,11)12)52-46(50-13)43(48-37(9)49)45(44)54-56(40-24-33(5)18-34(6)25-40)41-26-35(7)19-36(8)27-41;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h16-27,42-46H,28H2,1-15H3,(H,48,49);1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t42-,43-,44-,45-,46-;;;/m1.../s1.

What are the key properties of N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate?

N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate has a molecular weight of 1127.97 g/mol, XLogP of 13.19, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3R,4R,5R,6R)-4,5-bis[bis(3,5-dimethylphenyl)phosphanyloxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl]acetamide;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate is sourced from PubChem (CID 10986009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).