2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide

C4H9O4P — CID 10034799

IUPAC2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCOP1(=O)OCCO1
InChIInChI=1S/C4H9O4P/c1-2-6-9(5)7-3-4-8-9/h2-4H2,1H3
InChIKeyIUVGGESEBFJHPK-UHFFFAOYSA-N
MW152.09 g/mol
LogP1.18
Rot. Bonds2

About 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide

2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 10034799) has the molecular formula C4H9O4P and a molecular weight of 152.09 g/mol. Its IUPAC name is 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID10034799
Molecular FormulaC4H9O4P
Molecular Weight152.09 g/mol
Exact Mass152.02
IUPAC Name2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCCOP1(=O)OCCO1
InChIInChI=1S/C4H9O4P/c1-2-6-9(5)7-3-4-8-9/h2-4H2,1H3
InChIKeyIUVGGESEBFJHPK-UHFFFAOYSA-N
XLogP1.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.09
LogP ≤ 51.18
H-Bond Donors ≤ 50
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-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide (CID 10034799) is 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide is CCOP1(=O)OCCO1.
What is the InChIKey of 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is IUVGGESEBFJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O4P/c1-2-6-9(5)7-3-4-8-9/h2-4H2,1H3.
What are the key properties of 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide?
2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 152.09 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 10034799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).