(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol

C5H11O4P — CID 18335532

IUPAC(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol
SMILESCP1(=O)OCC(CO)CO1
InChIInChI=1S/C5H11O4P/c1-10(7)8-3-5(2-6)4-9-10/h5-6H,2-4H2,1H3
InChIKeyMGIKWARMWTZVBB-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.46
Rot. Bonds1

About (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol

(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol (PubChem CID 18335532) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol
PubChem CID18335532
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol
SMILESCP1(=O)OCC(CO)CO1
InChIInChI=1S/C5H11O4P/c1-10(7)8-3-5(2-6)4-9-10/h5-6H,2-4H2,1H3
InChIKeyMGIKWARMWTZVBB-UHFFFAOYSA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
The IUPAC name of (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol (CID 18335532) is (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol.
What is the SMILES notation for (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
The canonical SMILES for (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol is CP1(=O)OCC(CO)CO1.
What is the InChIKey of (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
The InChIKey is MGIKWARMWTZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-10(7)8-3-5(2-6)4-9-10/h5-6H,2-4H2,1H3.
What are the key properties of (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol?
(2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol has a molecular weight of 166.11 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-5-yl)methanol is sourced from PubChem (CID 18335532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).