2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide

C7H15O4P — CID 54421653

IUPAC2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOC(C)P1(=O)OCCCO1
InChIInChI=1S/C7H15O4P/c1-3-9-7(2)12(8)10-5-4-6-11-12/h7H,3-6H2,1-2H3
InChIKeyWBGAPQPWWSYXSE-UHFFFAOYSA-N
MW194.17 g/mol
LogP2.00
Rot. Bonds3

About 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide

2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 54421653) has the molecular formula C7H15O4P and a molecular weight of 194.17 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID54421653
Molecular FormulaC7H15O4P
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCOC(C)P1(=O)OCCCO1
InChIInChI=1S/C7H15O4P/c1-3-9-7(2)12(8)10-5-4-6-11-12/h7H,3-6H2,1-2H3
InChIKeyWBGAPQPWWSYXSE-UHFFFAOYSA-N
XLogP2.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide (CID 54421653) is 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide is CCOC(C)P1(=O)OCCCO1.
What is the InChIKey of 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is WBGAPQPWWSYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O4P/c1-3-9-7(2)12(8)10-5-4-6-11-12/h7H,3-6H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide?
2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 194.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 54421653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).