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

C9H19O5P — CID 54558492

IUPAC3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol
SMILESCC(O)C(C)OP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O5P/c1-7(10)8(2)14-15(11)12-5-9(3,4)6-13-15/h7-8,10H,5-6H2,1-4H3
InChIKeyZOWIJAFPIZABEO-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.95
Rot. Bonds3

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

3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol (PubChem CID 54558492) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol.

Molecular Properties

Compound Name3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol
PubChem CID54558492
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol
SMILESCC(O)C(C)OP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C9H19O5P/c1-7(10)8(2)14-15(11)12-5-9(3,4)6-13-15/h7-8,10H,5-6H2,1-4H3
InChIKeyZOWIJAFPIZABEO-UHFFFAOYSA-N
XLogP1.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.95
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 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol?
The IUPAC name of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol (CID 54558492) is 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol.
What is the SMILES notation for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol?
The canonical SMILES for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol is CC(O)C(C)OP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol?
The InChIKey is ZOWIJAFPIZABEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-7(10)8(2)14-15(11)12-5-9(3,4)6-13-15/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol?
3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol has a molecular weight of 238.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-2-ol is sourced from PubChem (CID 54558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).