3-methyl-3-silyloxybutane-1,2-dithiol

C5H14OS2Si — CID 173230692

IUPAC3-methyl-3-silyloxybutane-1,2-dithiol
SMILESCC(C)(O[SiH3])C(S)CS
InChIInChI=1S/C5H14OS2Si/c1-5(2,6-9)4(8)3-7/h4,7-8H,3H2,1-2,9H3
InChIKeyDZXVKXFECQYVHG-UHFFFAOYSA-N
MW182.39 g/mol
LogP0.29
Rot. Bonds3

About 3-methyl-3-silyloxybutane-1,2-dithiol

3-methyl-3-silyloxybutane-1,2-dithiol (PubChem CID 173230692) has the molecular formula C5H14OS2Si and a molecular weight of 182.39 g/mol. Its IUPAC name is 3-methyl-3-silyloxybutane-1,2-dithiol.

Molecular Properties

Compound Name3-methyl-3-silyloxybutane-1,2-dithiol
PubChem CID173230692
Molecular FormulaC5H14OS2Si
Molecular Weight182.39 g/mol
Exact Mass182.03
IUPAC Name3-methyl-3-silyloxybutane-1,2-dithiol
SMILESCC(C)(O[SiH3])C(S)CS
InChIInChI=1S/C5H14OS2Si/c1-5(2,6-9)4(8)3-7/h4,7-8H,3H2,1-2,9H3
InChIKeyDZXVKXFECQYVHG-UHFFFAOYSA-N
XLogP0.29
TPSA9.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.39
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-silyloxybutane-1,2-dithiol?
The IUPAC name of 3-methyl-3-silyloxybutane-1,2-dithiol (CID 173230692) is 3-methyl-3-silyloxybutane-1,2-dithiol.
What is the SMILES notation for 3-methyl-3-silyloxybutane-1,2-dithiol?
The canonical SMILES for 3-methyl-3-silyloxybutane-1,2-dithiol is CC(C)(O[SiH3])C(S)CS.
What is the InChIKey of 3-methyl-3-silyloxybutane-1,2-dithiol?
The InChIKey is DZXVKXFECQYVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OS2Si/c1-5(2,6-9)4(8)3-7/h4,7-8H,3H2,1-2,9H3.
What are the key properties of 3-methyl-3-silyloxybutane-1,2-dithiol?
3-methyl-3-silyloxybutane-1,2-dithiol has a molecular weight of 182.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-silyloxybutane-1,2-dithiol is sourced from PubChem (CID 173230692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).