bis(dimethoxyphosphoryl)methanone;hydrate

C5H14O8P2 — CID 22131489

IUPACbis(dimethoxyphosphoryl)methanone;hydrate
SMILESCOP(=O)(OC)C(=O)P(=O)(OC)OC.O
InChIInChI=1S/C5H12O7P2.H2O/c1-9-13(7,10-2)5(6)14(8,11-3)12-4;/h1-4H3;1H2
InChIKeyKRSWQJUABRKQFW-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.25
Rot. Bonds6

About bis(dimethoxyphosphoryl)methanone;hydrate

bis(dimethoxyphosphoryl)methanone;hydrate (PubChem CID 22131489) has the molecular formula C5H14O8P2 and a molecular weight of 264.11 g/mol. Its IUPAC name is bis(dimethoxyphosphoryl)methanone;hydrate.

Molecular Properties

Compound Namebis(dimethoxyphosphoryl)methanone;hydrate
PubChem CID22131489
Molecular FormulaC5H14O8P2
Molecular Weight264.11 g/mol
Exact Mass264.02
IUPAC Namebis(dimethoxyphosphoryl)methanone;hydrate
SMILESCOP(=O)(OC)C(=O)P(=O)(OC)OC.O
InChIInChI=1S/C5H12O7P2.H2O/c1-9-13(7,10-2)5(6)14(8,11-3)12-4;/h1-4H3;1H2
InChIKeyKRSWQJUABRKQFW-UHFFFAOYSA-N
XLogP1.25
TPSA119.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(dimethoxyphosphoryl)methanone;hydrate?
The IUPAC name of bis(dimethoxyphosphoryl)methanone;hydrate (CID 22131489) is bis(dimethoxyphosphoryl)methanone;hydrate.
What is the SMILES notation for bis(dimethoxyphosphoryl)methanone;hydrate?
The canonical SMILES for bis(dimethoxyphosphoryl)methanone;hydrate is COP(=O)(OC)C(=O)P(=O)(OC)OC.O.
What is the InChIKey of bis(dimethoxyphosphoryl)methanone;hydrate?
The InChIKey is KRSWQJUABRKQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O7P2.H2O/c1-9-13(7,10-2)5(6)14(8,11-3)12-4;/h1-4H3;1H2.
What are the key properties of bis(dimethoxyphosphoryl)methanone;hydrate?
bis(dimethoxyphosphoryl)methanone;hydrate has a molecular weight of 264.11 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethoxyphosphoryl)methanone;hydrate is sourced from PubChem (CID 22131489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).