dimethoxyphosphanyl dimethyl phosphate

C4H12O6P2 — CID 14031

IUPACdimethoxyphosphanyl dimethyl phosphate
SMILESCOP(OC)OP(=O)(OC)OC
InChIInChI=1S/C4H12O6P2/c1-6-11(7-2)10-12(5,8-3)9-4/h1-4H3
InChIKeyGZUJNAIOINJUIH-UHFFFAOYSA-N
MW218.08 g/mol
LogP1.92
Rot. Bonds6

About dimethoxyphosphanyl dimethyl phosphate

dimethoxyphosphanyl dimethyl phosphate (PubChem CID 14031) has the molecular formula C4H12O6P2 and a molecular weight of 218.08 g/mol. Its IUPAC name is dimethoxyphosphanyl dimethyl phosphate.

Molecular Properties

Compound Namedimethoxyphosphanyl dimethyl phosphate
PubChem CID14031
Molecular FormulaC4H12O6P2
Molecular Weight218.08 g/mol
Exact Mass218.01
IUPAC Namedimethoxyphosphanyl dimethyl phosphate
SMILESCOP(OC)OP(=O)(OC)OC
InChIInChI=1S/C4H12O6P2/c1-6-11(7-2)10-12(5,8-3)9-4/h1-4H3
InChIKeyGZUJNAIOINJUIH-UHFFFAOYSA-N
XLogP1.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 51.92
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 dimethoxyphosphanyl dimethyl phosphate?
The IUPAC name of dimethoxyphosphanyl dimethyl phosphate (CID 14031) is dimethoxyphosphanyl dimethyl phosphate.
What is the SMILES notation for dimethoxyphosphanyl dimethyl phosphate?
The canonical SMILES for dimethoxyphosphanyl dimethyl phosphate is COP(OC)OP(=O)(OC)OC.
What is the InChIKey of dimethoxyphosphanyl dimethyl phosphate?
The InChIKey is GZUJNAIOINJUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O6P2/c1-6-11(7-2)10-12(5,8-3)9-4/h1-4H3.
What are the key properties of dimethoxyphosphanyl dimethyl phosphate?
dimethoxyphosphanyl dimethyl phosphate has a molecular weight of 218.08 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphanyl dimethyl phosphate is sourced from PubChem (CID 14031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).