3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide

C4H9O7P — CID 142684303

IUPAC3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide
SMILESCCOOP1(=O)OOC(C)OO1
InChIInChI=1S/C4H9O7P/c1-3-6-9-12(5)10-7-4(2)8-11-12/h4H,3H2,1-2H3
InChIKeyKJRCPHXOMCPELO-UHFFFAOYSA-N
MW200.08 g/mol
LogP1.32
Rot. Bonds3

About 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide

3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide (PubChem CID 142684303) has the molecular formula C4H9O7P and a molecular weight of 200.08 g/mol. Its IUPAC name is 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide.

Molecular Properties

Compound Name3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide
PubChem CID142684303
Molecular FormulaC4H9O7P
Molecular Weight200.08 g/mol
Exact Mass200.01
IUPAC Name3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide
SMILESCCOOP1(=O)OOC(C)OO1
InChIInChI=1S/C4H9O7P/c1-3-6-9-12(5)10-7-4(2)8-11-12/h4H,3H2,1-2H3
InChIKeyKJRCPHXOMCPELO-UHFFFAOYSA-N
XLogP1.32
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

4-methyltrioxetane
CID 151364853
sodium;ethoxyethane;ethoxy sulfate
CID 88747488
ethyl (2S)-2-methyl-4-[(5-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butanoate
CID 142351805
3,4-diethoxydioxetane
CID 59986645
CID 173381512
CID 173381512
2-ethoxy-3-methyl-1-nitrosoaziridine
CID 166919745
2-(diethoxymethyl)-1,3,2lambda5-dioxaphospholane 2-oxide
CID 13349931
diethoxysilyl formate
CID 123189874
ethyl sulfate;tetramethylphosphanium
CID 161050866
2-[diethoxyphosphoryl(fluoro)methyl]-4-methyl-1,3-dioxetane
CID 89042432
ethoxyperoxyethane;phosphane
CID 174988204
2-(2,2-dimethylpropoxy)-4,5-dimethyl-1,3,2λ5-dioxaphospholane 2-oxide
CID 12583349

Frequently Asked Questions

What is the IUPAC name of 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide?
The IUPAC name of 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide (CID 142684303) is 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide.
What is the SMILES notation for 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide?
The canonical SMILES for 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide is CCOOP1(=O)OOC(C)OO1.
What is the InChIKey of 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide?
The InChIKey is KJRCPHXOMCPELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O7P/c1-3-6-9-12(5)10-7-4(2)8-11-12/h4H,3H2,1-2H3.
What are the key properties of 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide?
3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide has a molecular weight of 200.08 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylperoxy-6-methyl-1,2,4,5,3λ5-tetraoxaphosphinane 3-oxide is sourced from PubChem (CID 142684303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).