bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)

C50H58NO4P3Ru — CID 159312265

IUPACbis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].NCCP(c1ccccc1)c1ccccc1.[Ru+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C14H16NP.2C5H10O2.Ru/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-5(2,3)4(6)7;/h1-20H,21-22H2;1-10H,11-12,15H2;2*1-3H3,(H,6,7);/q;;;;+2/p-2
InChIKeyLCRTWPBUEKOFAG-UHFFFAOYSA-L
MW931.01 g/mol
LogP6.89
Rot. Bonds11

About bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)

bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+) (PubChem CID 159312265) has the molecular formula C50H58NO4P3Ru and a molecular weight of 931.01 g/mol. Its IUPAC name is bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+).

Molecular Properties

Compound Namebis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)
PubChem CID159312265
Molecular FormulaC50H58NO4P3Ru
Molecular Weight931.01 g/mol
Exact Mass931.26
IUPAC Namebis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)
SMILESCC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].NCCP(c1ccccc1)c1ccccc1.[Ru+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H24P2.C14H16NP.2C5H10O2.Ru/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-5(2,3)4(6)7;/h1-20H,21-22H2;1-10H,11-12,15H2;2*1-3H3,(H,6,7);/q;;;;+2/p-2
InChIKeyLCRTWPBUEKOFAG-UHFFFAOYSA-L
XLogP6.89
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.01
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)?
The IUPAC name of bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+) (CID 159312265) is bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+).
What is the SMILES notation for bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)?
The canonical SMILES for bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+) is CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].NCCP(c1ccccc1)c1ccccc1.[Ru+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)?
The InChIKey is LCRTWPBUEKOFAG-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H24P2.C14H16NP.2C5H10O2.Ru/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2*1-5(2,3)4(6)7;/h1-20H,21-22H2;1-10H,11-12,15H2;2*1-3H3,(H,6,7);/q;;;;+2/p-2.
What are the key properties of bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+)?
bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+) has a molecular weight of 931.01 g/mol, XLogP of 6.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropanoate);2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium(2+) is sourced from PubChem (CID 159312265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).