2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane

C10H20O4P2S — CID 143777822

IUPAC2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(SP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S/c1-9(2)5-11-15(12-6-9)17-16-13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyFZJONNHAUCDOOE-UHFFFAOYSA-N
MW298.28 g/mol
LogP4.32
Rot. Bonds2

About 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane

2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane (PubChem CID 143777822) has the molecular formula C10H20O4P2S and a molecular weight of 298.28 g/mol. Its IUPAC name is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane.

Molecular Properties

Compound Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
PubChem CID143777822
Molecular FormulaC10H20O4P2S
Molecular Weight298.28 g/mol
Exact Mass298.06
IUPAC Name2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane
SMILESCC1(C)COP(SP2OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S/c1-9(2)5-11-15(12-6-9)17-16-13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyFZJONNHAUCDOOE-UHFFFAOYSA-N
XLogP4.32
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The IUPAC name of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane (CID 143777822) is 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane.
What is the SMILES notation for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The canonical SMILES for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane is CC1(C)COP(SP2OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
The InChIKey is FZJONNHAUCDOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4P2S/c1-9(2)5-11-15(12-6-9)17-16-13-7-10(3,4)8-14-16/h5-8H2,1-4H3.
What are the key properties of 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane?
2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane has a molecular weight of 298.28 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2-dioxaphosphinane is sourced from PubChem (CID 143777822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).