chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride

C30H34Cl3CrO3P2Si — CID 174994910

IUPACchromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride
SMILESCCO[Si](OCC)(OCCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C30H34O3P2Si.3ClH.Cr/c1-3-31-36(32-4-2,35(29-21-13-7-14-22-29)30-23-15-8-16-24-30)33-25-26-34(27-17-9-5-10-18-27)28-19-11-6-12-20-28;;;;/h5-24H,3-4,25-26H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyABCNFYACGYEJFD-UHFFFAOYSA-K
MW690.99 g/mol
LogP-3.21
Rot. Bonds13

About chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride

chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride (PubChem CID 174994910) has the molecular formula C30H34Cl3CrO3P2Si and a molecular weight of 690.99 g/mol. Its IUPAC name is chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride.

Molecular Properties

Compound Namechromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride
PubChem CID174994910
Molecular FormulaC30H34Cl3CrO3P2Si
Molecular Weight690.99 g/mol
Exact Mass689.02
IUPAC Namechromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride
SMILESCCO[Si](OCC)(OCCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C30H34O3P2Si.3ClH.Cr/c1-3-31-36(32-4-2,35(29-21-13-7-14-22-29)30-23-15-8-16-24-30)33-25-26-34(27-17-9-5-10-18-27)28-19-11-6-12-20-28;;;;/h5-24H,3-4,25-26H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyABCNFYACGYEJFD-UHFFFAOYSA-K
XLogP-3.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.99
LogP ≤ 5-3.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(dimethoxy)silyl]ethyl-diphenylphosphane
CID 134945563
diphenyl-[3-[phenyl(2-triethoxysilylethyl)phosphanyl]propyl]phosphane
CID 11181263
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
CID 90421643
CID 136870105
CID 136870105
3-diethoxyphosphorylpropyl(diphenyl)phosphane
CID 54349013
diphenyl(2-trimethylstannylethyl)phosphane
CID 13153746
2-dipropoxysilylethyl(diphenyl)phosphane
CID 123453967
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
3-diphenylphosphanylpropyl acetate
CID 57133096
bis(3-diphenylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 170997457

Frequently Asked Questions

What is the IUPAC name of chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride?
The IUPAC name of chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride (CID 174994910) is chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride.
What is the SMILES notation for chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride?
The canonical SMILES for chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride is CCO[Si](OCC)(OCCP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cr+3].
What is the InChIKey of chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride?
The InChIKey is ABCNFYACGYEJFD-UHFFFAOYSA-K. The full InChI is InChI=1S/C30H34O3P2Si.3ClH.Cr/c1-3-31-36(32-4-2,35(29-21-13-7-14-22-29)30-23-15-8-16-24-30)33-25-26-34(27-17-9-5-10-18-27)28-19-11-6-12-20-28;;;;/h5-24H,3-4,25-26H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride?
chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride has a molecular weight of 690.99 g/mol, XLogP of -3.21, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);2-[diphenylphosphanyl(diethoxy)silyl]oxyethyl-diphenylphosphane;trichloride is sourced from PubChem (CID 174994910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).