bis(2-iminoethoxy)-oxophosphanium

C4H8N2O3P+ — CID 87610229

IUPACbis(2-iminoethoxy)-oxophosphanium
SMILES[H]/N=C/CO[P+](=O)OC/C=N/[H]
InChIInChI=1S/C4H8N2O3P/c5-1-3-8-10(7)9-4-2-6/h1-2,5-6H,3-4H2/q+1/b5-1+,6-2+
InChIKeyDILZTPIRVBTTDJ-IJIVKGSJSA-N
MW163.09 g/mol
LogP0.98
Rot. Bonds6

About bis(2-iminoethoxy)-oxophosphanium

bis(2-iminoethoxy)-oxophosphanium (PubChem CID 87610229) has the molecular formula C4H8N2O3P+ and a molecular weight of 163.09 g/mol. Its IUPAC name is bis(2-iminoethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-iminoethoxy)-oxophosphanium
PubChem CID87610229
Molecular FormulaC4H8N2O3P+
Molecular Weight163.09 g/mol
Exact Mass163.03
IUPAC Namebis(2-iminoethoxy)-oxophosphanium
SMILES[H]/N=C/CO[P+](=O)OC/C=N/[H]
InChIInChI=1S/C4H8N2O3P/c5-1-3-8-10(7)9-4-2-6/h1-2,5-6H,3-4H2/q+1/b5-1+,6-2+
InChIKeyDILZTPIRVBTTDJ-IJIVKGSJSA-N
XLogP0.98
TPSA83.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.09
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 91329206
CID 91329206
CID 87910469
CID 87910469
CID 88159071
CID 88159071
CID 123846559
CID 123846559

Frequently Asked Questions

What is the IUPAC name of bis(2-iminoethoxy)-oxophosphanium?
The IUPAC name of bis(2-iminoethoxy)-oxophosphanium (CID 87610229) is bis(2-iminoethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-iminoethoxy)-oxophosphanium?
The canonical SMILES for bis(2-iminoethoxy)-oxophosphanium is [H]/N=C/CO[P+](=O)OC/C=N/[H].
What is the InChIKey of bis(2-iminoethoxy)-oxophosphanium?
The InChIKey is DILZTPIRVBTTDJ-IJIVKGSJSA-N. The full InChI is InChI=1S/C4H8N2O3P/c5-1-3-8-10(7)9-4-2-6/h1-2,5-6H,3-4H2/q+1/b5-1+,6-2+.
What are the key properties of bis(2-iminoethoxy)-oxophosphanium?
bis(2-iminoethoxy)-oxophosphanium has a molecular weight of 163.09 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-iminoethoxy)-oxophosphanium is sourced from PubChem (CID 87610229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).