1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one

C6H13O3P — CID 21464718

IUPAC1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one
SMILESCOP(C)(=O)C(=O)C(C)C
InChIInChI=1S/C6H13O3P/c1-5(2)6(7)10(4,8)9-3/h5H,1-4H3
InChIKeyQWHUYUGHATYPGB-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.72
Rot. Bonds3

About 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one

1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one (PubChem CID 21464718) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one
PubChem CID21464718
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one
SMILESCOP(C)(=O)C(=O)C(C)C
InChIInChI=1S/C6H13O3P/c1-5(2)6(7)10(4,8)9-3/h5H,1-4H3
InChIKeyQWHUYUGHATYPGB-UHFFFAOYSA-N
XLogP1.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one (CID 21464718) is 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one is COP(C)(=O)C(=O)C(C)C.
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one?
The InChIKey is QWHUYUGHATYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-5(2)6(7)10(4,8)9-3/h5H,1-4H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one?
1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one has a molecular weight of 164.14 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]-2-methylpropan-1-one is sourced from PubChem (CID 21464718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).