2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide

C2H5O3P — CID 22951905

IUPAC2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide
SMILESCP1(=O)OCO1
InChIInChI=1S/C2H5O3P/c1-6(3)4-2-5-6/h2H2,1H3
InChIKeyJLAXLYXIVGDYDE-UHFFFAOYSA-N
MW108.03 g/mol
LogP0.81
Rot. Bonds

About 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide

2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide (PubChem CID 22951905) has the molecular formula C2H5O3P and a molecular weight of 108.03 g/mol. Its IUPAC name is 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide.

Molecular Properties

Compound Name2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide
PubChem CID22951905
Molecular FormulaC2H5O3P
Molecular Weight108.03 g/mol
Exact Mass108.00
IUPAC Name2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide
SMILESCP1(=O)OCO1
InChIInChI=1S/C2H5O3P/c1-6(3)4-2-5-6/h2H2,1H3
InChIKeyJLAXLYXIVGDYDE-UHFFFAOYSA-N
XLogP0.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.03
LogP ≤ 50.81
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-methyl-1,3,2λ5-dioxaphosphetane 2-oxide?
The IUPAC name of 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide (CID 22951905) is 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide.
What is the SMILES notation for 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide?
The canonical SMILES for 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide is CP1(=O)OCO1.
What is the InChIKey of 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide?
The InChIKey is JLAXLYXIVGDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O3P/c1-6(3)4-2-5-6/h2H2,1H3.
What are the key properties of 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide?
2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide has a molecular weight of 108.03 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,2λ5-dioxaphosphetane 2-oxide is sourced from PubChem (CID 22951905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).