2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane

C6H15O3P — CID 10558991

IUPAC2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane
SMILESCOP(C)(=O)OC(C)(C)C
InChIInChI=1S/C6H15O3P/c1-6(2,3)9-10(5,7)8-4/h1-5H3
InChIKeyHLEMBLHLAUNEQV-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.27
Rot. Bonds2

About 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane

2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane (PubChem CID 10558991) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane
PubChem CID10558991
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Name2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane
SMILESCOP(C)(=O)OC(C)(C)C
InChIInChI=1S/C6H15O3P/c1-6(2,3)9-10(5,7)8-4/h1-5H3
InChIKeyHLEMBLHLAUNEQV-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.27
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 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
The IUPAC name of 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane (CID 10558991) is 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane.
What is the SMILES notation for 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
The canonical SMILES for 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane is COP(C)(=O)OC(C)(C)C.
What is the InChIKey of 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
The InChIKey is HLEMBLHLAUNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-6(2,3)9-10(5,7)8-4/h1-5H3.
What are the key properties of 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane?
2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane has a molecular weight of 166.16 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)phosphoryl]oxy-2-methylpropane is sourced from PubChem (CID 10558991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).