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

C8H17O5P — CID 11241567

IUPAC2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol
SMILESCC(CO)OP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O5P/c1-7(4-9)13-14(10)11-5-8(2,3)6-12-14/h7,9H,4-6H2,1-3H3
InChIKeyFBPFJAYBCZDFFK-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.56
Rot. Bonds3

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

2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol (PubChem CID 11241567) has the molecular formula C8H17O5P and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol
PubChem CID11241567
Molecular FormulaC8H17O5P
Molecular Weight224.19 g/mol
Exact Mass224.08
IUPAC Name2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol
SMILESCC(CO)OP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C8H17O5P/c1-7(4-9)13-14(10)11-5-8(2,3)6-12-14/h7,9H,4-6H2,1-3H3
InChIKeyFBPFJAYBCZDFFK-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'}

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

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Launch Full Analysis

Related Compounds

Phosphatidylglycerols
CID 45109789
2,3-Dihydroxy-1-propyl di-ethyl phosphate
CID 12583193
Glycerol Impurity 39
CID 178878706
Glycerol Impurity 40
CID 178878707
1-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propan-2-ol
CID 11368084
2-Methoxy-2-oxo-1,3,2lambda5-dioxaphosphinan-5-ol
CID 13704533
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]ethanol
CID 53694405
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]pentan-1-ol
CID 53749107
4-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]hexan-3-ol
CID 53821736
2-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]propoxy]ethanol
CID 53877344
1-[2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]butoxy]propan-2-ol
CID 53948029
2-[(5,5-Dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]ethanol
CID 54233721

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
The IUPAC name of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol (CID 11241567) is 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
The canonical SMILES for 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol is CC(CO)OP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
The InChIKey is FBPFJAYBCZDFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5P/c1-7(4-9)13-14(10)11-5-8(2,3)6-12-14/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol?
2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-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 2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 11241567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).