4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

C6H11O3P — CID 13210

IUPAC4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
SMILESCCC12COP(OC1)OC2
InChIInChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3
InChIKeyQRUSNTDXJQBKBI-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.69
Rot. Bonds1

About 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane (PubChem CID 13210) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
PubChem CID13210
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Name4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
SMILESCCC12COP(OC1)OC2
InChIInChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3
InChIKeyQRUSNTDXJQBKBI-UHFFFAOYSA-N
XLogP1.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
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 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane?
The IUPAC name of 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane (CID 13210) is 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane.
What is the SMILES notation for 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane?
The canonical SMILES for 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane is CCC12COP(OC1)OC2.
What is the InChIKey of 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane?
The InChIKey is QRUSNTDXJQBKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3.
What are the key properties of 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane?
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane has a molecular weight of 162.12 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane is sourced from PubChem (CID 13210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).