oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium

C26H60O3P3+ — CID 87081063

IUPACoxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium
SMILESCCCCP(C)(CCCC)(CCCC)O[P+](=O)OP(C)(CCCC)(CCCC)CCCC
InChIInChI=1S/C26H60O3P3/c1-9-15-21-31(7,22-16-10-2,23-17-11-3)28-30(27)29-32(8,24-18-12-4,25-19-13-5)26-20-14-6/h9-26H2,1-8H3/q+1
InChIKeyFXYKEOZRLVNFQA-UHFFFAOYSA-N
MW513.69 g/mol
LogP10.67
Rot. Bonds22

About oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium

oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium (PubChem CID 87081063) has the molecular formula C26H60O3P3+ and a molecular weight of 513.69 g/mol. Its IUPAC name is oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium
PubChem CID87081063
Molecular FormulaC26H60O3P3+
Molecular Weight513.69 g/mol
Exact Mass513.37
IUPAC Nameoxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium
SMILESCCCCP(C)(CCCC)(CCCC)O[P+](=O)OP(C)(CCCC)(CCCC)CCCC
InChIInChI=1S/C26H60O3P3/c1-9-15-21-31(7,22-16-10-2,23-17-11-3)28-30(27)29-32(8,24-18-12-4,25-19-13-5)26-20-14-6/h9-26H2,1-8H3/q+1
InChIKeyFXYKEOZRLVNFQA-UHFFFAOYSA-N
XLogP10.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octane;oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium
CID 87081062
oxo-bis[[trihexyl(tetradecyl)-λ5-phosphanyl]oxy]phosphanium
CID 87080949
[tributyl(methyl)-λ5-phosphanyl] trifluoromethanesulfonate
CID 87223937
[methyl(trioctyl)-λ5-phosphanyl] acetate
CID 87134097
octyl bis[tributyl(methyl)-λ5-phosphanyl] phosphate
CID 141220927
tetrabutyl-(tetrabutyl-λ5-phosphanyl)-λ5-phosphane
CID 173272787
butyl-trihydroxy-methyl-λ5-phosphane
CID 87283068
oxo-bis(5-propylnonan-5-yloxy)phosphanium
CID 87060248
hexane;oxomercury
CID 174814256
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dihexadecoxy(oxo)phosphanium
CID 6336657
dioctadecoxy(oxo)phosphanium
CID 6327799

Frequently Asked Questions

What is the IUPAC name of oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium?
The IUPAC name of oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium (CID 87081063) is oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium.
What is the SMILES notation for oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium?
The canonical SMILES for oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium is CCCCP(C)(CCCC)(CCCC)O[P+](=O)OP(C)(CCCC)(CCCC)CCCC.
What is the InChIKey of oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium?
The InChIKey is FXYKEOZRLVNFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H60O3P3/c1-9-15-21-31(7,22-16-10-2,23-17-11-3)28-30(27)29-32(8,24-18-12-4,25-19-13-5)26-20-14-6/h9-26H2,1-8H3/q+1.
What are the key properties of oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium?
oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium has a molecular weight of 513.69 g/mol, XLogP of 10.67, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[[tributyl(methyl)-λ5-phosphanyl]oxy]phosphanium is sourced from PubChem (CID 87081063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).