dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane

C24H42Cl2N2O2P2Ru — CID 11285043

IUPACdichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
SMILESCN(C)C=O.CN(C)C=O.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.Cl[Ru]Cl
InChIInChI=1S/C18H28P2.2C3H7NO.2ClH.Ru/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;2*1-4(2)3-5;;;/h5-8,13-16H,9-12H2,1-4H3;2*3H,1-2H3;2*1H;/q;;;;;+2/p-2/t13-,14-,15-,16-;;;;;/m1...../s1
InChIKeyURLXBPYQJJBVIQ-LUUOEDFCSA-L
MW624.54 g/mol
LogP5.83
Rot. Bonds4

About dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane

dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane (PubChem CID 11285043) has the molecular formula C24H42Cl2N2O2P2Ru and a molecular weight of 624.54 g/mol. Its IUPAC name is dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane.

Molecular Properties

Compound Namedichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
PubChem CID11285043
Molecular FormulaC24H42Cl2N2O2P2Ru
Molecular Weight624.54 g/mol
Exact Mass624.11
IUPAC Namedichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane
SMILESCN(C)C=O.CN(C)C=O.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.Cl[Ru]Cl
InChIInChI=1S/C18H28P2.2C3H7NO.2ClH.Ru/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;2*1-4(2)3-5;;;/h5-8,13-16H,9-12H2,1-4H3;2*3H,1-2H3;2*1H;/q;;;;;+2/p-2/t13-,14-,15-,16-;;;;;/m1...../s1
InChIKeyURLXBPYQJJBVIQ-LUUOEDFCSA-L
XLogP5.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane?
The IUPAC name of dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane (CID 11285043) is dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane.
What is the SMILES notation for dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane?
The canonical SMILES for dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane is CN(C)C=O.CN(C)C=O.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.Cl[Ru]Cl.
What is the InChIKey of dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane?
The InChIKey is URLXBPYQJJBVIQ-LUUOEDFCSA-L. The full InChI is InChI=1S/C18H28P2.2C3H7NO.2ClH.Ru/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;2*1-4(2)3-5;;;/h5-8,13-16H,9-12H2,1-4H3;2*3H,1-2H3;2*1H;/q;;;;;+2/p-2/t13-,14-,15-,16-;;;;;/m1...../s1.
What are the key properties of dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane?
dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane has a molecular weight of 624.54 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;bis(N,N-dimethylformamide);(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane is sourced from PubChem (CID 11285043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).