2-ethoxy-1,3,2-dioxaphosphinane

C5H11O3P — CID 13143342

IUPAC2-ethoxy-1,3,2-dioxaphosphinane
SMILESCCOP1OCCCO1
InChIInChI=1S/C5H11O3P/c1-2-6-9-7-4-3-5-8-9/h2-5H2,1H3
InChIKeyBSVCRARPUHWDDQ-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.69
Rot. Bonds2

About 2-ethoxy-1,3,2-dioxaphosphinane

2-ethoxy-1,3,2-dioxaphosphinane (PubChem CID 13143342) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-ethoxy-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-ethoxy-1,3,2-dioxaphosphinane
PubChem CID13143342
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-ethoxy-1,3,2-dioxaphosphinane
SMILESCCOP1OCCCO1
InChIInChI=1S/C5H11O3P/c1-2-6-9-7-4-3-5-8-9/h2-5H2,1H3
InChIKeyBSVCRARPUHWDDQ-UHFFFAOYSA-N
XLogP1.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.69
H-Bond Donors ≤ 50
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-ethoxy-1,3,2-dioxaphosphinane?
The IUPAC name of 2-ethoxy-1,3,2-dioxaphosphinane (CID 13143342) is 2-ethoxy-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-ethoxy-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-ethoxy-1,3,2-dioxaphosphinane is CCOP1OCCCO1.
What is the InChIKey of 2-ethoxy-1,3,2-dioxaphosphinane?
The InChIKey is BSVCRARPUHWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-2-6-9-7-4-3-5-8-9/h2-5H2,1H3.
What are the key properties of 2-ethoxy-1,3,2-dioxaphosphinane?
2-ethoxy-1,3,2-dioxaphosphinane has a molecular weight of 150.11 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3,2-dioxaphosphinane is sourced from PubChem (CID 13143342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).