bis(11-methyldodecoxy)-oxophosphanium

C26H54O3P+ — CID 6335864

IUPACbis(11-methyldodecoxy)-oxophosphanium
SMILESCC(C)CCCCCCCCCCO[P+](=O)OCCCCCCCCCCC(C)C
InChIInChI=1S/C26H54O3P/c1-25(2)21-17-13-9-5-7-11-15-19-23-28-30(27)29-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3/q+1
InChIKeyXBDBIQSNODOCIR-UHFFFAOYSA-N
MW445.69 g/mol
LogP10.01
Rot. Bonds24

About bis(11-methyldodecoxy)-oxophosphanium

bis(11-methyldodecoxy)-oxophosphanium (PubChem CID 6335864) has the molecular formula C26H54O3P+ and a molecular weight of 445.69 g/mol. Its IUPAC name is bis(11-methyldodecoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(11-methyldodecoxy)-oxophosphanium
PubChem CID6335864
Molecular FormulaC26H54O3P+
Molecular Weight445.69 g/mol
Exact Mass445.38
IUPAC Namebis(11-methyldodecoxy)-oxophosphanium
SMILESCC(C)CCCCCCCCCCO[P+](=O)OCCCCCCCCCCC(C)C
InChIInChI=1S/C26H54O3P/c1-25(2)21-17-13-9-5-7-11-15-19-23-28-30(27)29-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3/q+1
InChIKeyXBDBIQSNODOCIR-UHFFFAOYSA-N
XLogP10.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(11-methyldodecoxy)-oxophosphanium?
The IUPAC name of bis(11-methyldodecoxy)-oxophosphanium (CID 6335864) is bis(11-methyldodecoxy)-oxophosphanium.
What is the SMILES notation for bis(11-methyldodecoxy)-oxophosphanium?
The canonical SMILES for bis(11-methyldodecoxy)-oxophosphanium is CC(C)CCCCCCCCCCO[P+](=O)OCCCCCCCCCCC(C)C.
What is the InChIKey of bis(11-methyldodecoxy)-oxophosphanium?
The InChIKey is XBDBIQSNODOCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3P/c1-25(2)21-17-13-9-5-7-11-15-19-23-28-30(27)29-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3/q+1.
What are the key properties of bis(11-methyldodecoxy)-oxophosphanium?
bis(11-methyldodecoxy)-oxophosphanium has a molecular weight of 445.69 g/mol, XLogP of 10.01, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(11-methyldodecoxy)-oxophosphanium is sourced from PubChem (CID 6335864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).