2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

C10H20O5P2S — CID 89058558

IUPAC2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCC1(C)COP(OP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O5P2S/c1-9(2)5-11-16(12-6-9)15-17(18)13-7-10(3,4)8-14-17/h5-8H2,1-4H3
InChIKeyGLMIOBSONILOEB-UHFFFAOYSA-N
MW314.28 g/mol
LogP3.60
Rot. Bonds2

About 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 89058558) has the molecular formula C10H20O5P2S and a molecular weight of 314.28 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID89058558
Molecular FormulaC10H20O5P2S
Molecular Weight314.28 g/mol
Exact Mass314.05
IUPAC Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCC1(C)COP(OP2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O5P2S/c1-9(2)5-11-16(12-6-9)15-17(18)13-7-10(3,4)8-14-17/h5-8H2,1-4H3
InChIKeyGLMIOBSONILOEB-UHFFFAOYSA-N
XLogP3.60
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 89058558) is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is CC1(C)COP(OP2(=S)OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is GLMIOBSONILOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5P2S/c1-9(2)5-11-16(12-6-9)15-17(18)13-7-10(3,4)8-14-17/h5-8H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 314.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 89058558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).