4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide

C5H11O4P — CID 20528626

IUPAC4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCC1CCOP(=O)(O)O1
InChIInChI=1S/C5H11O4P/c1-2-5-3-4-8-10(6,7)9-5/h5H,2-4H2,1H3,(H,6,7)
InChIKeyOWTSRKXCPHUJLW-UHFFFAOYSA-N
MW166.11 g/mol
LogP1.30
Rot. Bonds1

About 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide

4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 20528626) has the molecular formula C5H11O4P and a molecular weight of 166.11 g/mol. Its IUPAC name is 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID20528626
Molecular FormulaC5H11O4P
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Name4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCC1CCOP(=O)(O)O1
InChIInChI=1S/C5H11O4P/c1-2-5-3-4-8-10(6,7)9-5/h5H,2-4H2,1H3,(H,6,7)
InChIKeyOWTSRKXCPHUJLW-UHFFFAOYSA-N
XLogP1.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.30
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 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide (CID 20528626) is 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide is CCC1CCOP(=O)(O)O1.
What is the InChIKey of 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is OWTSRKXCPHUJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O4P/c1-2-5-3-4-8-10(6,7)9-5/h5H,2-4H2,1H3,(H,6,7).
What are the key properties of 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide?
4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 166.11 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxy-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 20528626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).