2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane

C8H19O5P — CID 12564469

IUPAC2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane
SMILESCOP(=O)(CCOOC(C)(C)C)OC
InChIInChI=1S/C8H19O5P/c1-8(2,3)13-12-6-7-14(9,10-4)11-5/h6-7H2,1-5H3
InChIKeyKMHOQSJRBSFFLA-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane

2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane (PubChem CID 12564469) has the molecular formula C8H19O5P and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane
PubChem CID12564469
Molecular FormulaC8H19O5P
Molecular Weight226.21 g/mol
Exact Mass226.10
IUPAC Name2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane
SMILESCOP(=O)(CCOOC(C)(C)C)OC
InChIInChI=1S/C8H19O5P/c1-8(2,3)13-12-6-7-14(9,10-4)11-5/h6-7H2,1-5H3
InChIKeyKMHOQSJRBSFFLA-UHFFFAOYSA-N
XLogP2.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane?
The IUPAC name of 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane (CID 12564469) is 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane.
What is the SMILES notation for 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane?
The canonical SMILES for 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane is COP(=O)(CCOOC(C)(C)C)OC.
What is the InChIKey of 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane?
The InChIKey is KMHOQSJRBSFFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O5P/c1-8(2,3)13-12-6-7-14(9,10-4)11-5/h6-7H2,1-5H3.
What are the key properties of 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane?
2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane has a molecular weight of 226.21 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dimethoxyphosphorylethylperoxy)-2-methylpropane is sourced from PubChem (CID 12564469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).