2-methyl-2-silyloxypentane-3-thiol

C6H16OSSi — CID 173157471

IUPAC2-methyl-2-silyloxypentane-3-thiol
SMILESCCC(S)C(C)(C)O[SiH3]
InChIInChI=1S/C6H16OSSi/c1-4-5(8)6(2,3)7-9/h5,8H,4H2,1-3,9H3
InChIKeyAEEFPTDLFOZBIH-UHFFFAOYSA-N
MW164.35 g/mol
LogP0.77
Rot. Bonds3

About 2-methyl-2-silyloxypentane-3-thiol

2-methyl-2-silyloxypentane-3-thiol (PubChem CID 173157471) has the molecular formula C6H16OSSi and a molecular weight of 164.35 g/mol. Its IUPAC name is 2-methyl-2-silyloxypentane-3-thiol.

Molecular Properties

Compound Name2-methyl-2-silyloxypentane-3-thiol
PubChem CID173157471
Molecular FormulaC6H16OSSi
Molecular Weight164.35 g/mol
Exact Mass164.07
IUPAC Name2-methyl-2-silyloxypentane-3-thiol
SMILESCCC(S)C(C)(C)O[SiH3]
InChIInChI=1S/C6H16OSSi/c1-4-5(8)6(2,3)7-9/h5,8H,4H2,1-3,9H3
InChIKeyAEEFPTDLFOZBIH-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-methyl-2-silyloxypentane-3-thiol?
The IUPAC name of 2-methyl-2-silyloxypentane-3-thiol (CID 173157471) is 2-methyl-2-silyloxypentane-3-thiol.
What is the SMILES notation for 2-methyl-2-silyloxypentane-3-thiol?
The canonical SMILES for 2-methyl-2-silyloxypentane-3-thiol is CCC(S)C(C)(C)O[SiH3].
What is the InChIKey of 2-methyl-2-silyloxypentane-3-thiol?
The InChIKey is AEEFPTDLFOZBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSSi/c1-4-5(8)6(2,3)7-9/h5,8H,4H2,1-3,9H3.
What are the key properties of 2-methyl-2-silyloxypentane-3-thiol?
2-methyl-2-silyloxypentane-3-thiol has a molecular weight of 164.35 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-silyloxypentane-3-thiol is sourced from PubChem (CID 173157471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).