2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C8H17O5P — CID 547076

IUPAC2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCOCCOP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O5P/c1-8(2)6-12-14(9,13-7-8)11-5-4-10-3/h4-7H2,1-3H3
InChIKeyXTOQUTHRJGJNKL-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.83
Rot. Bonds4

About 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 547076) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID547076
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCOCCOP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O5P/c1-8(2)6-12-14(9,13-7-8)11-5-4-10-3/h4-7H2,1-3H3
InChIKeyXTOQUTHRJGJNKL-UHFFFAOYSA-N
XLogP1.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 547076) is 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is COCCOP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is XTOQUTHRJGJNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-8(2)6-12-14(9,13-7-8)11-5-4-10-3/h4-7H2,1-3H3.
What are the key properties of 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 224.19 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 547076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).