2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane

C8H20O7S2Si — CID 88521041

IUPAC2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane
SMILESCCC(C)(S(=O)(=O)CC)S(=O)(=O)CC.O=[Si](O)O
InChIInChI=1S/C8H18O4S2.H2O3Si/c1-5-8(4,13(9,10)6-2)14(11,12)7-3;1-4(2)3/h5-7H2,1-4H3;1-2H
InChIKeyVROSPUFHDZZSGG-UHFFFAOYSA-N
MW320.46 g/mol
LogP-0.63
Rot. Bonds5

About 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane

2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane (PubChem CID 88521041) has the molecular formula C8H20O7S2Si and a molecular weight of 320.46 g/mol. Its IUPAC name is 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane.

Molecular Properties

Compound Name2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane
PubChem CID88521041
Molecular FormulaC8H20O7S2Si
Molecular Weight320.46 g/mol
Exact Mass320.04
IUPAC Name2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane
SMILESCCC(C)(S(=O)(=O)CC)S(=O)(=O)CC.O=[Si](O)O
InChIInChI=1S/C8H18O4S2.H2O3Si/c1-5-8(4,13(9,10)6-2)14(11,12)7-3;1-4(2)3/h5-7H2,1-4H3;1-2H
InChIKeyVROSPUFHDZZSGG-UHFFFAOYSA-N
XLogP-0.63
TPSA125.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane?
The IUPAC name of 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane (CID 88521041) is 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane.
What is the SMILES notation for 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane?
The canonical SMILES for 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane is CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC.O=[Si](O)O.
What is the InChIKey of 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane?
The InChIKey is VROSPUFHDZZSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4S2.H2O3Si/c1-5-8(4,13(9,10)6-2)14(11,12)7-3;1-4(2)3/h5-7H2,1-4H3;1-2H.
What are the key properties of 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane?
2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane has a molecular weight of 320.46 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfonyl)butane;dihydroxy(oxo)silane is sourced from PubChem (CID 88521041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).