oxo-bis(5-propylnonan-5-yloxy)phosphanium

C24H50O3P+ — CID 87060248

IUPACoxo-bis(5-propylnonan-5-yloxy)phosphanium
SMILESCCCCC(CCC)(CCCC)O[P+](=O)OC(CCC)(CCCC)CCCC
InChIInChI=1S/C24H50O3P/c1-7-13-19-23(17-11-5,20-14-8-2)26-28(25)27-24(18-12-6,21-15-9-3)22-16-10-4/h7-22H2,1-6H3/q+1
InChIKeyORTQBRRGKDUNOZ-UHFFFAOYSA-N
MW417.64 g/mol
LogP9.52
Rot. Bonds20

About oxo-bis(5-propylnonan-5-yloxy)phosphanium

oxo-bis(5-propylnonan-5-yloxy)phosphanium (PubChem CID 87060248) has the molecular formula C24H50O3P+ and a molecular weight of 417.64 g/mol. Its IUPAC name is oxo-bis(5-propylnonan-5-yloxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(5-propylnonan-5-yloxy)phosphanium
PubChem CID87060248
Molecular FormulaC24H50O3P+
Molecular Weight417.64 g/mol
Exact Mass417.35
IUPAC Nameoxo-bis(5-propylnonan-5-yloxy)phosphanium
SMILESCCCCC(CCC)(CCCC)O[P+](=O)OC(CCC)(CCCC)CCCC
InChIInChI=1S/C24H50O3P/c1-7-13-19-23(17-11-5,20-14-8-2)26-28(25)27-24(18-12-6,21-15-9-3)22-16-10-4/h7-22H2,1-6H3/q+1
InChIKeyORTQBRRGKDUNOZ-UHFFFAOYSA-N
XLogP9.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 59.52
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

5-propylnonan-5-yloxyphosphane
CID 23352969
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
5-propyldecan-5-yl acetate
CID 172855546
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
dibutyl 5-propylnonan-5-yl phosphate
CID 174698819
10-methoxy-10-propylicosane
CID 158279749
10-methoxy-10-propyltricosane
CID 159618690
tris(3-ethylheptan-3-yloxy)alumane
CID 141438993
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
bis[[1-(chloromethoxy)-3-ethylpentan-3-yl]oxy]-oxophosphanium
CID 88516698
5-butylnonan-5-yl methyl carbonate
CID 141441033

Frequently Asked Questions

What is the IUPAC name of oxo-bis(5-propylnonan-5-yloxy)phosphanium?
The IUPAC name of oxo-bis(5-propylnonan-5-yloxy)phosphanium (CID 87060248) is oxo-bis(5-propylnonan-5-yloxy)phosphanium.
What is the SMILES notation for oxo-bis(5-propylnonan-5-yloxy)phosphanium?
The canonical SMILES for oxo-bis(5-propylnonan-5-yloxy)phosphanium is CCCCC(CCC)(CCCC)O[P+](=O)OC(CCC)(CCCC)CCCC.
What is the InChIKey of oxo-bis(5-propylnonan-5-yloxy)phosphanium?
The InChIKey is ORTQBRRGKDUNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3P/c1-7-13-19-23(17-11-5,20-14-8-2)26-28(25)27-24(18-12-6,21-15-9-3)22-16-10-4/h7-22H2,1-6H3/q+1.
What are the key properties of oxo-bis(5-propylnonan-5-yloxy)phosphanium?
oxo-bis(5-propylnonan-5-yloxy)phosphanium has a molecular weight of 417.64 g/mol, XLogP of 9.52, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(5-propylnonan-5-yloxy)phosphanium is sourced from PubChem (CID 87060248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).