dimethoxyphosphoryl(dimethoxy)methane

C5H13O5P — CID 12601983

IUPACdimethoxyphosphoryl(dimethoxy)methane
SMILESCOC(OC)P(=O)(OC)OC
InChIInChI=1S/C5H13O5P/c1-7-5(8-2)11(6,9-3)10-4/h5H,1-4H3
InChIKeyDTILCMQFCUCGAG-UHFFFAOYSA-N
MW184.13 g/mol
LogP1.05
Rot. Bonds5

About dimethoxyphosphoryl(dimethoxy)methane

dimethoxyphosphoryl(dimethoxy)methane (PubChem CID 12601983) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is dimethoxyphosphoryl(dimethoxy)methane.

Molecular Properties

Compound Namedimethoxyphosphoryl(dimethoxy)methane
PubChem CID12601983
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Namedimethoxyphosphoryl(dimethoxy)methane
SMILESCOC(OC)P(=O)(OC)OC
InChIInChI=1S/C5H13O5P/c1-7-5(8-2)11(6,9-3)10-4/h5H,1-4H3
InChIKeyDTILCMQFCUCGAG-UHFFFAOYSA-N
XLogP1.05
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethoxyphosphoryl(dimethoxy)methane?
The IUPAC name of dimethoxyphosphoryl(dimethoxy)methane (CID 12601983) is dimethoxyphosphoryl(dimethoxy)methane.
What is the SMILES notation for dimethoxyphosphoryl(dimethoxy)methane?
The canonical SMILES for dimethoxyphosphoryl(dimethoxy)methane is COC(OC)P(=O)(OC)OC.
What is the InChIKey of dimethoxyphosphoryl(dimethoxy)methane?
The InChIKey is DTILCMQFCUCGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-7-5(8-2)11(6,9-3)10-4/h5H,1-4H3.
What are the key properties of dimethoxyphosphoryl(dimethoxy)methane?
dimethoxyphosphoryl(dimethoxy)methane has a molecular weight of 184.13 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl(dimethoxy)methane is sourced from PubChem (CID 12601983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).