2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide

C6H13O4P — CID 20528587

IUPAC2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC(C)C1CCOP(=O)(O)O1
InChIInChI=1S/C6H13O4P/c1-5(2)6-3-4-9-11(7,8)10-6/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyQFIGOAIGMROMDZ-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.55
Rot. Bonds1

About 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide

2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 20528587) has the molecular formula C6H13O4P and a molecular weight of 180.14 g/mol. Its IUPAC name is 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID20528587
Molecular FormulaC6H13O4P
Molecular Weight180.14 g/mol
Exact Mass180.06
IUPAC Name2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC(C)C1CCOP(=O)(O)O1
InChIInChI=1S/C6H13O4P/c1-5(2)6-3-4-9-11(7,8)10-6/h5-6H,3-4H2,1-2H3,(H,7,8)
InChIKeyQFIGOAIGMROMDZ-UHFFFAOYSA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 20528587) is 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide is CC(C)C1CCOP(=O)(O)O1.
What is the InChIKey of 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is QFIGOAIGMROMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4P/c1-5(2)6-3-4-9-11(7,8)10-6/h5-6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 180.14 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-propan-2-yl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 20528587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).