dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane

C5H8Cl2O4P2 — CID 22956611

IUPACdichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane
SMILESClP(Cl)OCC12COP(OC1)OC2
InChIInChI=1S/C5H8Cl2O4P2/c6-12(7)8-1-5-2-9-13(10-3-5)11-4-5/h1-4H2
InChIKeyIPKPJIAMTSHHCF-UHFFFAOYSA-N
MW264.97 g/mol
LogP3.00
Rot. Bonds3

About dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane

dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane (PubChem CID 22956611) has the molecular formula C5H8Cl2O4P2 and a molecular weight of 264.97 g/mol. Its IUPAC name is dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane.

Molecular Properties

Compound Namedichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane
PubChem CID22956611
Molecular FormulaC5H8Cl2O4P2
Molecular Weight264.97 g/mol
Exact Mass263.93
IUPAC Namedichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane
SMILESClP(Cl)OCC12COP(OC1)OC2
InChIInChI=1S/C5H8Cl2O4P2/c6-12(7)8-1-5-2-9-13(10-3-5)11-4-5/h1-4H2
InChIKeyIPKPJIAMTSHHCF-UHFFFAOYSA-N
XLogP3.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.97
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane?
The IUPAC name of dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane (CID 22956611) is dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane.
What is the SMILES notation for dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane?
The canonical SMILES for dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane is ClP(Cl)OCC12COP(OC1)OC2.
What is the InChIKey of dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane?
The InChIKey is IPKPJIAMTSHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O4P2/c6-12(7)8-1-5-2-9-13(10-3-5)11-4-5/h1-4H2.
What are the key properties of dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane?
dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane has a molecular weight of 264.97 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethoxy)phosphane is sourced from PubChem (CID 22956611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).