2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C5H11O3P — CID 14644322

IUPAC2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCCP1(=O)OCCCO1
InChIInChI=1S/C5H11O3P/c1-2-9(6)7-4-3-5-8-9/h2-5H2,1H3
InChIKeyHDTTYOVFSGTTFY-UHFFFAOYSA-N
MW150.11 g/mol
LogP1.64
Rot. Bonds1

About 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 14644322) has the molecular formula C5H11O3P and a molecular weight of 150.11 g/mol. Its IUPAC name is 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID14644322
Molecular FormulaC5H11O3P
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Name2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCCP1(=O)OCCCO1
InChIInChI=1S/C5H11O3P/c1-2-9(6)7-4-3-5-8-9/h2-5H2,1H3
InChIKeyHDTTYOVFSGTTFY-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 51.64
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-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 14644322) is 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is CCP1(=O)OCCCO1.
What is the InChIKey of 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is HDTTYOVFSGTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3P/c1-2-9(6)7-4-3-5-8-9/h2-5H2,1H3.
What are the key properties of 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 150.11 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 14644322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).