tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)

C25H40OP2Rh+2 — CID 58470966

IUPACtert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)
SMILESC[C@H](C1CCCC1[PH+](O)C(C)(C)C)[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Rh+2]
InChIInChI=1S/C23H32OP2.2CH3.Rh/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20;;;/h5-10,12-15,18,21-22,24H,11,16-17H2,1-4H3;2*1H3;/q;2*-1;+2/p+2/t18-,21?,22?,26?;;;/m1.../s1
InChIKeyOJIYEJXGOGMJTJ-PISPKFCASA-P
MW521.45 g/mol
LogP6.23
Rot. Bonds5

About tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)

tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+) (PubChem CID 58470966) has the molecular formula C25H40OP2Rh+2 and a molecular weight of 521.45 g/mol. Its IUPAC name is tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+).

Molecular Properties

Compound Nametert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)
PubChem CID58470966
Molecular FormulaC25H40OP2Rh+2
Molecular Weight521.45 g/mol
Exact Mass521.16
IUPAC Nametert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)
SMILESC[C@H](C1CCCC1[PH+](O)C(C)(C)C)[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Rh+2]
InChIInChI=1S/C23H32OP2.2CH3.Rh/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20;;;/h5-10,12-15,18,21-22,24H,11,16-17H2,1-4H3;2*1H3;/q;2*-1;+2/p+2/t18-,21?,22?,26?;;;/m1.../s1
InChIKeyOJIYEJXGOGMJTJ-PISPKFCASA-P
XLogP6.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.45
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)?
The IUPAC name of tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+) (CID 58470966) is tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+).
What is the SMILES notation for tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)?
The canonical SMILES for tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+) is C[C@H](C1CCCC1[PH+](O)C(C)(C)C)[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[Rh+2].
What is the InChIKey of tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)?
The InChIKey is OJIYEJXGOGMJTJ-PISPKFCASA-P. The full InChI is InChI=1S/C23H32OP2.2CH3.Rh/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20;;;/h5-10,12-15,18,21-22,24H,11,16-17H2,1-4H3;2*1H3;/q;2*-1;+2/p+2/t18-,21?,22?,26?;;;/m1.../s1.
What are the key properties of tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+)?
tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+) has a molecular weight of 521.45 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1R)-1-diphenylphosphaniumylethyl]cyclopentyl]-hydroxyphosphanium;carbanide;rhodium(2+) is sourced from PubChem (CID 58470966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).