5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

C4H7Cl2O3P — CID 22107261

IUPAC5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCP1(=O)OCC(Cl)(Cl)CO1
InChIInChI=1S/C4H7Cl2O3P/c1-10(7)8-2-4(5,6)3-9-10/h2-3H2,1H3
InChIKeyXFEOYSKGXVWMJF-UHFFFAOYSA-N
MW204.98 g/mol
LogP2.03
Rot. Bonds

About 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 22107261) has the molecular formula C4H7Cl2O3P and a molecular weight of 204.98 g/mol. Its IUPAC name is 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID22107261
Molecular FormulaC4H7Cl2O3P
Molecular Weight204.98 g/mol
Exact Mass203.95
IUPAC Name5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCP1(=O)OCC(Cl)(Cl)CO1
InChIInChI=1S/C4H7Cl2O3P/c1-10(7)8-2-4(5,6)3-9-10/h2-3H2,1H3
InChIKeyXFEOYSKGXVWMJF-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 22107261) is 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is CP1(=O)OCC(Cl)(Cl)CO1.
What is the InChIKey of 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is XFEOYSKGXVWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O3P/c1-10(7)8-2-4(5,6)3-9-10/h2-3H2,1H3.
What are the key properties of 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 204.98 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dichloro-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 22107261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).