bis(2-ethylhexoxy)-oxophosphanium

C16H34O3P+ — CID 6327514

IUPACbis(2-ethylhexoxy)-oxophosphanium
SMILESCCCCC(CC)CO[P+](=O)OCC(CC)CCCC
InChIInChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1
InChIKeyZLMKQJQJURXYLC-UHFFFAOYSA-N
MW305.42 g/mol
LogP6.11
Rot. Bonds14

About bis(2-ethylhexoxy)-oxophosphanium

bis(2-ethylhexoxy)-oxophosphanium (PubChem CID 6327514) has the molecular formula C16H34O3P+ and a molecular weight of 305.42 g/mol. Its IUPAC name is bis(2-ethylhexoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-ethylhexoxy)-oxophosphanium
PubChem CID6327514
Molecular FormulaC16H34O3P+
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Namebis(2-ethylhexoxy)-oxophosphanium
SMILESCCCCC(CC)CO[P+](=O)OCC(CC)CCCC
InChIInChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1
InChIKeyZLMKQJQJURXYLC-UHFFFAOYSA-N
XLogP6.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethylhexoxy)-oxophosphanium?
The IUPAC name of bis(2-ethylhexoxy)-oxophosphanium (CID 6327514) is bis(2-ethylhexoxy)-oxophosphanium.
What is the SMILES notation for bis(2-ethylhexoxy)-oxophosphanium?
The canonical SMILES for bis(2-ethylhexoxy)-oxophosphanium is CCCCC(CC)CO[P+](=O)OCC(CC)CCCC.
What is the InChIKey of bis(2-ethylhexoxy)-oxophosphanium?
The InChIKey is ZLMKQJQJURXYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1.
What are the key properties of bis(2-ethylhexoxy)-oxophosphanium?
bis(2-ethylhexoxy)-oxophosphanium has a molecular weight of 305.42 g/mol, XLogP of 6.11, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylhexoxy)-oxophosphanium is sourced from PubChem (CID 6327514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).