dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite

C5H8Cl2O6P2 — CID 54412363

IUPACdichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite
SMILESClOP(OCl)OCC12COP(OC1)OC2
InChIInChI=1S/C5H8Cl2O6P2/c6-12-15(13-7)11-4-5-1-8-14(9-2-5)10-3-5/h1-4H2
InChIKeyVVAGTGCCKJEELU-UHFFFAOYSA-N
MW296.97 g/mol
LogP2.86
Rot. Bonds5

About dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite

dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite (PubChem CID 54412363) has the molecular formula C5H8Cl2O6P2 and a molecular weight of 296.97 g/mol. Its IUPAC name is dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite.

Molecular Properties

Compound Namedichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite
PubChem CID54412363
Molecular FormulaC5H8Cl2O6P2
Molecular Weight296.97 g/mol
Exact Mass295.92
IUPAC Namedichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite
SMILESClOP(OCl)OCC12COP(OC1)OC2
InChIInChI=1S/C5H8Cl2O6P2/c6-12-15(13-7)11-4-5-1-8-14(9-2-5)10-3-5/h1-4H2
InChIKeyVVAGTGCCKJEELU-UHFFFAOYSA-N
XLogP2.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.97
LogP ≤ 52.86
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 dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite?
The IUPAC name of dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite (CID 54412363) is dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite.
What is the SMILES notation for dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite?
The canonical SMILES for dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite is ClOP(OCl)OCC12COP(OC1)OC2.
What is the InChIKey of dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite?
The InChIKey is VVAGTGCCKJEELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2O6P2/c6-12-15(13-7)11-4-5-1-8-14(9-2-5)10-3-5/h1-4H2.
What are the key properties of dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite?
dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite has a molecular weight of 296.97 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro 2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-4-ylmethyl phosphite is sourced from PubChem (CID 54412363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).