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

C10H20O6P2S — CID 3832089

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

2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 3832089) has the molecular formula C10H20O6P2S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

• Compound Name: 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
• PubChem CID: 3832089
• Molecular Formula: C10H20O6P2S
• Molecular Weight: 330.28 g/mol
• Exact Mass: 330.05
• IUPAC Name: 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
• SMILES: CC1(C)COP(=O)(OP2(=S)OCC(C)(C)CO2)OC1
• InChI: InChI=1S/C10H20O6P2S/c1-9(2)5-12-17(11,13-6-9)16-18(19)14-7-10(3,4)8-15-18/h5-8H2,1-4H3
• InChIKey: KTYRWZFFSJOETC-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 63.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.28
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

The IUPAC name of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 3832089) is 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

What is the SMILES notation for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

The canonical SMILES for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(OP2(=S)OCC(C)(C)CO2)OC1.

What is the InChIKey of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

The InChIKey is KTYRWZFFSJOETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6P2S/c1-9(2)5-12-17(11,13-6-9)16-18(19)14-7-10(3,4)8-15-18/h5-8H2,1-4H3.

What are the key properties of 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?

2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 330.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 3832089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).