2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide

C₈H₁₇O₄P — CID 141410723

About 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide

2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 141410723) has the molecular formula C₈H₁₇O₄P and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

• Compound Name: 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
• PubChem CID: 141410723
• Molecular Formula: C₈H₁₇O₄P
• Molecular Weight: 208.19 g/mol
• Exact Mass: 208.09
• IUPAC Name: 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide
• SMILES: CCCCOCCP1(=O)OCCO1
• InChI: InChI=1S/C8H17O4P/c1-2-3-4-10-7-8-13(9)11-5-6-12-13/h2-8H2,1H3
• InChIKey: FOQHBISDRCPHOU-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.19
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?

The IUPAC name of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide (CID 141410723) is 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide.

What is the SMILES notation for 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?

The canonical SMILES for 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide is CCCCOCCP1(=O)OCCO1.

What is the InChIKey of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?

The InChIKey is FOQHBISDRCPHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-2-3-4-10-7-8-13(9)11-5-6-12-13/h2-8H2,1H3.

What are the key properties of 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide?

2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 208.19 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-butoxyethyl)-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 141410723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141410723 — identifiers, structure, computed properties (public domain)

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