dimethoxy-[methoxy(methyl)phosphoryl]methane

C5H13O4P — CID 12601977

IUPACdimethoxy-[methoxy(methyl)phosphoryl]methane
SMILESCOC(OC)P(C)(=O)OC
InChIInChI=1S/C5H13O4P/c1-7-5(8-2)10(4,6)9-3/h5H,1-4H3
InChIKeyBNJLZSUOFRGABG-UHFFFAOYSA-N
MW168.13 g/mol
LogP1.12
Rot. Bonds4

About dimethoxy-[methoxy(methyl)phosphoryl]methane

dimethoxy-[methoxy(methyl)phosphoryl]methane (PubChem CID 12601977) has the molecular formula C5H13O4P and a molecular weight of 168.13 g/mol. Its IUPAC name is dimethoxy-[methoxy(methyl)phosphoryl]methane.

Molecular Properties

Compound Namedimethoxy-[methoxy(methyl)phosphoryl]methane
PubChem CID12601977
Molecular FormulaC5H13O4P
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Namedimethoxy-[methoxy(methyl)phosphoryl]methane
SMILESCOC(OC)P(C)(=O)OC
InChIInChI=1S/C5H13O4P/c1-7-5(8-2)10(4,6)9-3/h5H,1-4H3
InChIKeyBNJLZSUOFRGABG-UHFFFAOYSA-N
XLogP1.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethoxy-[methoxy(methyl)phosphoryl]methane?
The IUPAC name of dimethoxy-[methoxy(methyl)phosphoryl]methane (CID 12601977) is dimethoxy-[methoxy(methyl)phosphoryl]methane.
What is the SMILES notation for dimethoxy-[methoxy(methyl)phosphoryl]methane?
The canonical SMILES for dimethoxy-[methoxy(methyl)phosphoryl]methane is COC(OC)P(C)(=O)OC.
What is the InChIKey of dimethoxy-[methoxy(methyl)phosphoryl]methane?
The InChIKey is BNJLZSUOFRGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4P/c1-7-5(8-2)10(4,6)9-3/h5H,1-4H3.
What are the key properties of dimethoxy-[methoxy(methyl)phosphoryl]methane?
dimethoxy-[methoxy(methyl)phosphoryl]methane has a molecular weight of 168.13 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[methoxy(methyl)phosphoryl]methane is sourced from PubChem (CID 12601977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).