1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide

C4H8O6P2+2 — CID 56841728

IUPAC1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide
SMILESO=[P+]1OCCO[P+](=O)OCCO1
InChIInChI=1S/C4H8O6P2/c5-11-7-1-2-8-12(6)10-4-3-9-11/h1-4H2/q+2
InChIKeyZJTGBUHCJITWCR-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.38
Rot. Bonds

About 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide

1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide (PubChem CID 56841728) has the molecular formula C4H8O6P2+2 and a molecular weight of 214.05 g/mol. Its IUPAC name is 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide.

Molecular Properties

Compound Name1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide
PubChem CID56841728
Molecular FormulaC4H8O6P2+2
Molecular Weight214.05 g/mol
Exact Mass213.98
IUPAC Name1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide
SMILESO=[P+]1OCCO[P+](=O)OCCO1
InChIInChI=1S/C4H8O6P2/c5-11-7-1-2-8-12(6)10-4-3-9-11/h1-4H2/q+2
InChIKeyZJTGBUHCJITWCR-UHFFFAOYSA-N
XLogP1.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
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 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide?
The IUPAC name of 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide (CID 56841728) is 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide.
What is the SMILES notation for 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide?
The canonical SMILES for 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide is O=[P+]1OCCO[P+](=O)OCCO1.
What is the InChIKey of 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide?
The InChIKey is ZJTGBUHCJITWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6P2/c5-11-7-1-2-8-12(6)10-4-3-9-11/h1-4H2/q+2.
What are the key properties of 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide?
1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide has a molecular weight of 214.05 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 1,3,6,8,2,7-tetraoxadiphosphecane-2,7-diium 2,7-dioxide is sourced from PubChem (CID 56841728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).