2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

C7H15O3P — CID 14892817

IUPAC2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCCP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C7H15O3P/c1-4-11(8)9-5-7(2,3)6-10-11/h4-6H2,1-3H3
InChIKeyRTIAJCSGPJYNEG-UHFFFAOYSA-N
MW178.17 g/mol
LogP2.27
Rot. Bonds1

About 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide

2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (PubChem CID 14892817) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
PubChem CID14892817
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
SMILESCCP1(=O)OCC(C)(C)CO1
InChIInChI=1S/C7H15O3P/c1-4-11(8)9-5-7(2,3)6-10-11/h4-6H2,1-3H3
InChIKeyRTIAJCSGPJYNEG-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 52.27
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-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide (CID 14892817) is 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is CCP1(=O)OCC(C)(C)CO1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
The InChIKey is RTIAJCSGPJYNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O3P/c1-4-11(8)9-5-7(2,3)6-10-11/h4-6H2,1-3H3.
What are the key properties of 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide?
2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide has a molecular weight of 178.17 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 14892817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).