2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide

C4H8Cl2O6P2 — CID 118485957

IUPAC2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
SMILESO=P1(Cl)OCCOP(=O)(Cl)OCCO1
InChIInChI=1S/C4H8Cl2O6P2/c5-13(7)9-1-2-10-14(6,8)12-4-3-11-13/h1-4H2
InChIKeyFHCNTKUCENCENX-UHFFFAOYSA-N
MW284.96 g/mol
LogP2.76
Rot. Bonds

About 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide

2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide (PubChem CID 118485957) has the molecular formula C4H8Cl2O6P2 and a molecular weight of 284.96 g/mol. Its IUPAC name is 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide.

Molecular Properties

Compound Name2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
PubChem CID118485957
Molecular FormulaC4H8Cl2O6P2
Molecular Weight284.96 g/mol
Exact Mass283.92
IUPAC Name2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide
SMILESO=P1(Cl)OCCOP(=O)(Cl)OCCO1
InChIInChI=1S/C4H8Cl2O6P2/c5-13(7)9-1-2-10-14(6,8)12-4-3-11-13/h1-4H2
InChIKeyFHCNTKUCENCENX-UHFFFAOYSA-N
XLogP2.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.96
LogP ≤ 52.76
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 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
The IUPAC name of 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide (CID 118485957) is 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide.
What is the SMILES notation for 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
The canonical SMILES for 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide is O=P1(Cl)OCCOP(=O)(Cl)OCCO1.
What is the InChIKey of 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
The InChIKey is FHCNTKUCENCENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl2O6P2/c5-13(7)9-1-2-10-14(6,8)12-4-3-11-13/h1-4H2.
What are the key properties of 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide?
2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide has a molecular weight of 284.96 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-1,3,6,8,2λ5,7λ5-tetraoxadiphosphecane 2,7-dioxide is sourced from PubChem (CID 118485957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).