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

C8H17O5P — CID 11368084

IUPAC1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol
SMILESCC(O)COP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O5P/c1-7(9)4-11-14(10)12-5-8(2,3)6-13-14/h7,9H,4-6H2,1-3H3
InChIKeyDNBXDELUBOCDHY-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.56
Rot. Bonds3

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

1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol (PubChem CID 11368084) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol
PubChem CID11368084
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol
SMILESCC(O)COP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O5P/c1-7(9)4-11-14(10)12-5-8(2,3)6-13-14/h7,9H,4-6H2,1-3H3
InChIKeyDNBXDELUBOCDHY-UHFFFAOYSA-N
XLogP1.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.56
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 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol (CID 11368084) is 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol is CC(O)COP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol?
The InChIKey is DNBXDELUBOCDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-7(9)4-11-14(10)12-5-8(2,3)6-13-14/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol?
1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol has a molecular weight of 224.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 11368084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).