1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane

C6H15O4P — CID 54446102

IUPAC1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane
SMILESCOC(C)(OC)P(C)(=O)OC
InChIInChI=1S/C6H15O4P/c1-6(8-2,9-3)11(5,7)10-4/h1-5H3
InChIKeyWRPXTPOGMVVGQR-UHFFFAOYSA-N
MW182.16 g/mol
LogP1.51
Rot. Bonds4

About 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane

1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane (PubChem CID 54446102) has the molecular formula C6H15O4P and a molecular weight of 182.16 g/mol. Its IUPAC name is 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane.

Molecular Properties

Compound Name1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane
PubChem CID54446102
Molecular FormulaC6H15O4P
Molecular Weight182.16 g/mol
Exact Mass182.07
IUPAC Name1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane
SMILESCOC(C)(OC)P(C)(=O)OC
InChIInChI=1S/C6H15O4P/c1-6(8-2,9-3)11(5,7)10-4/h1-5H3
InChIKeyWRPXTPOGMVVGQR-UHFFFAOYSA-N
XLogP1.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 51.51
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 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane?
The IUPAC name of 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane (CID 54446102) is 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane.
What is the SMILES notation for 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane?
The canonical SMILES for 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane is COC(C)(OC)P(C)(=O)OC.
What is the InChIKey of 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane?
The InChIKey is WRPXTPOGMVVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P/c1-6(8-2,9-3)11(5,7)10-4/h1-5H3.
What are the key properties of 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane?
1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane has a molecular weight of 182.16 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-1-[methoxy(methyl)phosphoryl]ethane is sourced from PubChem (CID 54446102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).