2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol

C7H15O5P — CID 54233721

IUPAC2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol
SMILESCC1(C)COP(=O)(OCCO)OC1
InChIInChI=1S/C7H15O5P/c1-7(2)5-11-13(9,12-6-7)10-4-3-8/h8H,3-6H2,1-2H3
InChIKeyQLBIZPYGJOYOEJ-UHFFFAOYSA-N
MW210.17 g/mol
LogP1.18
Rot. Bonds3

About 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol

2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol (PubChem CID 54233721) has the molecular formula C7H15O5P and a molecular weight of 210.17 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol
PubChem CID54233721
Molecular FormulaC7H15O5P
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol
SMILESCC1(C)COP(=O)(OCCO)OC1
InChIInChI=1S/C7H15O5P/c1-7(2)5-11-13(9,12-6-7)10-4-3-8/h8H,3-6H2,1-2H3
InChIKeyQLBIZPYGJOYOEJ-UHFFFAOYSA-N
XLogP1.18
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol?
The IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol (CID 54233721) is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol is CC1(C)COP(=O)(OCCO)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol?
The InChIKey is QLBIZPYGJOYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O5P/c1-7(2)5-11-13(9,12-6-7)10-4-3-8/h8H,3-6H2,1-2H3.
What are the key properties of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol?
2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol has a molecular weight of 210.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethanol is sourced from PubChem (CID 54233721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).