bis(2-methoxyethoxy)-oxophosphanium

C6H14O5P+ — CID 13373756

IUPACbis(2-methoxyethoxy)-oxophosphanium
SMILESCOCCO[P+](=O)OCCOC
InChIInChI=1S/C6H14O5P/c1-8-3-5-10-12(7)11-6-4-9-2/h3-6H2,1-2H3/q+1
InChIKeyQRQLFCXMNOBYFR-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.97
Rot. Bonds8

About bis(2-methoxyethoxy)-oxophosphanium

bis(2-methoxyethoxy)-oxophosphanium (PubChem CID 13373756) has the molecular formula C6H14O5P+ and a molecular weight of 197.15 g/mol. Its IUPAC name is bis(2-methoxyethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-methoxyethoxy)-oxophosphanium
PubChem CID13373756
Molecular FormulaC6H14O5P+
Molecular Weight197.15 g/mol
Exact Mass197.06
IUPAC Namebis(2-methoxyethoxy)-oxophosphanium
SMILESCOCCO[P+](=O)OCCOC
InChIInChI=1S/C6H14O5P/c1-8-3-5-10-12(7)11-6-4-9-2/h3-6H2,1-2H3/q+1
InChIKeyQRQLFCXMNOBYFR-UHFFFAOYSA-N
XLogP0.97
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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(2-methoxyethoxy)-oxophosphanium?
The IUPAC name of bis(2-methoxyethoxy)-oxophosphanium (CID 13373756) is bis(2-methoxyethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-methoxyethoxy)-oxophosphanium?
The canonical SMILES for bis(2-methoxyethoxy)-oxophosphanium is COCCO[P+](=O)OCCOC.
What is the InChIKey of bis(2-methoxyethoxy)-oxophosphanium?
The InChIKey is QRQLFCXMNOBYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O5P/c1-8-3-5-10-12(7)11-6-4-9-2/h3-6H2,1-2H3/q+1.
What are the key properties of bis(2-methoxyethoxy)-oxophosphanium?
bis(2-methoxyethoxy)-oxophosphanium has a molecular weight of 197.15 g/mol, XLogP of 0.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethoxy)-oxophosphanium is sourced from PubChem (CID 13373756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).