2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide

C5H11O5P — CID 121331652

IUPAC2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCOC(C)OP1(=O)OCCO1
InChIInChI=1S/C5H11O5P/c1-5(7-2)10-11(6)8-3-4-9-11/h5H,3-4H2,1-2H3
InChIKeyJGBUXQDTKLDTOI-UHFFFAOYSA-N
MW182.11 g/mol
LogP1.15
Rot. Bonds3

About 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide

2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 121331652) has the molecular formula C5H11O5P and a molecular weight of 182.11 g/mol. Its IUPAC name is 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID121331652
Molecular FormulaC5H11O5P
Molecular Weight182.11 g/mol
Exact Mass182.03
IUPAC Name2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCOC(C)OP1(=O)OCCO1
InChIInChI=1S/C5H11O5P/c1-5(7-2)10-11(6)8-3-4-9-11/h5H,3-4H2,1-2H3
InChIKeyJGBUXQDTKLDTOI-UHFFFAOYSA-N
XLogP1.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.11
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide (CID 121331652) is 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide is COC(C)OP1(=O)OCCO1.
What is the InChIKey of 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is JGBUXQDTKLDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5P/c1-5(7-2)10-11(6)8-3-4-9-11/h5H,3-4H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide?
2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 182.11 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxy)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 121331652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).