5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

C9H20O5P2 — CID 20697104

IUPAC5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCC1(COP(C)(C)=O)COP(C)(=O)OC1
InChIInChI=1S/C9H20O5P2/c1-5-9(6-12-15(2,3)10)7-13-16(4,11)14-8-9/h5-8H2,1-4H3
InChIKeyGLSORDITIGXTJT-UHFFFAOYSA-N
MW270.20 g/mol
LogP2.81
Rot. Bonds4

About 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide

5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 20697104) has the molecular formula C9H20O5P2 and a molecular weight of 270.20 g/mol. Its IUPAC name is 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID20697104
Molecular FormulaC9H20O5P2
Molecular Weight270.20 g/mol
Exact Mass270.08
IUPAC Name5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCCC1(COP(C)(C)=O)COP(C)(=O)OC1
InChIInChI=1S/C9H20O5P2/c1-5-9(6-12-15(2,3)10)7-13-16(4,11)14-8-9/h5-8H2,1-4H3
InChIKeyGLSORDITIGXTJT-UHFFFAOYSA-N
XLogP2.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 20697104) is 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is CCC1(COP(C)(C)=O)COP(C)(=O)OC1.
What is the InChIKey of 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is GLSORDITIGXTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5P2/c1-5-9(6-12-15(2,3)10)7-13-16(4,11)14-8-9/h5-8H2,1-4H3.
What are the key properties of 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide?
5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 270.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylphosphoryloxymethyl)-5-ethyl-2-methyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 20697104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).