(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide

C22H36Br2P2Ru — CID 11635863

IUPAC(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide
SMILESCC[C@@H]1CC[C@@H](CC)P1c1ccccc1P1[C@H](CC)CC[C@H]1CC.[Br-].[Br-].[Ru+2]
InChIInChI=1S/C22H36P2.2BrH.Ru/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;;;/h9-12,17-20H,5-8,13-16H2,1-4H3;2*1H;/q;;;+2/p-2/t17-,18-,19-,20-;;;/m1.../s1
InChIKeyIWJACQVUZCVBCJ-QFNVKMGQSA-L
MW623.36 g/mol
LogP0.61
Rot. Bonds6

About (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide

(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide (PubChem CID 11635863) has the molecular formula C22H36Br2P2Ru and a molecular weight of 623.36 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide
PubChem CID11635863
Molecular FormulaC22H36Br2P2Ru
Molecular Weight623.36 g/mol
Exact Mass621.97
IUPAC Name(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide
SMILESCC[C@@H]1CC[C@@H](CC)P1c1ccccc1P1[C@H](CC)CC[C@H]1CC.[Br-].[Br-].[Ru+2]
InChIInChI=1S/C22H36P2.2BrH.Ru/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;;;/h9-12,17-20H,5-8,13-16H2,1-4H3;2*1H;/q;;;+2/p-2/t17-,18-,19-,20-;;;/m1.../s1
InChIKeyIWJACQVUZCVBCJ-QFNVKMGQSA-L
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide?
The IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide (CID 11635863) is (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide.
What is the SMILES notation for (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide?
The canonical SMILES for (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide is CC[C@@H]1CC[C@@H](CC)P1c1ccccc1P1[C@H](CC)CC[C@H]1CC.[Br-].[Br-].[Ru+2].
What is the InChIKey of (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide?
The InChIKey is IWJACQVUZCVBCJ-QFNVKMGQSA-L. The full InChI is InChI=1S/C22H36P2.2BrH.Ru/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;;;/h9-12,17-20H,5-8,13-16H2,1-4H3;2*1H;/q;;;+2/p-2/t17-,18-,19-,20-;;;/m1.../s1.
What are the key properties of (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide?
(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide has a molecular weight of 623.36 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;ruthenium(2+);dibromide is sourced from PubChem (CID 11635863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).