2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide

C5H8O6P2+2 — CID 11831169

IUPAC2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide
SMILESO=[P+]1OCC2(CO1)CO[P+](=O)OC2
InChIInChI=1S/C5H8O6P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2/q+2
InChIKeyYNCXJONOPZLTIW-UHFFFAOYSA-N
MW226.06 g/mol
LogP1.38
Rot. Bonds

About 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide

2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide (PubChem CID 11831169) has the molecular formula C5H8O6P2+2 and a molecular weight of 226.06 g/mol. Its IUPAC name is 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide.

Molecular Properties

Compound Name2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide
PubChem CID11831169
Molecular FormulaC5H8O6P2+2
Molecular Weight226.06 g/mol
Exact Mass225.98
IUPAC Name2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide
SMILESO=[P+]1OCC2(CO1)CO[P+](=O)OC2
InChIInChI=1S/C5H8O6P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2/q+2
InChIKeyYNCXJONOPZLTIW-UHFFFAOYSA-N
XLogP1.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide?
The IUPAC name of 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide (CID 11831169) is 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide.
What is the SMILES notation for 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide?
The canonical SMILES for 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide is O=[P+]1OCC2(CO1)CO[P+](=O)OC2.
What is the InChIKey of 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide?
The InChIKey is YNCXJONOPZLTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O6P2/c6-12-8-1-5(2-9-12)3-10-13(7)11-4-5/h1-4H2/q+2.
What are the key properties of 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide?
2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide has a molecular weight of 226.06 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8,10-tetraoxa-3,9-diphosphoniaspiro[5.5]undecane 3,9-dioxide is sourced from PubChem (CID 11831169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).