5-methyl-5-silyloxyhexane-3-thiol

C7H18OSSi — CID 173124603

IUPAC5-methyl-5-silyloxyhexane-3-thiol
SMILESCCC(S)CC(C)(C)O[SiH3]
InChIInChI=1S/C7H18OSSi/c1-4-6(9)5-7(2,3)8-10/h6,9H,4-5H2,1-3,10H3
InChIKeyIZCQWYORJNELEI-UHFFFAOYSA-N
MW178.37 g/mol
LogP1.16
Rot. Bonds4

About 5-methyl-5-silyloxyhexane-3-thiol

5-methyl-5-silyloxyhexane-3-thiol (PubChem CID 173124603) has the molecular formula C7H18OSSi and a molecular weight of 178.37 g/mol. Its IUPAC name is 5-methyl-5-silyloxyhexane-3-thiol.

Molecular Properties

Compound Name5-methyl-5-silyloxyhexane-3-thiol
PubChem CID173124603
Molecular FormulaC7H18OSSi
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name5-methyl-5-silyloxyhexane-3-thiol
SMILESCCC(S)CC(C)(C)O[SiH3]
InChIInChI=1S/C7H18OSSi/c1-4-6(9)5-7(2,3)8-10/h6,9H,4-5H2,1-3,10H3
InChIKeyIZCQWYORJNELEI-UHFFFAOYSA-N
XLogP1.16
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.37
LogP ≤ 51.16
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 5-methyl-5-silyloxyhexane-3-thiol?
The IUPAC name of 5-methyl-5-silyloxyhexane-3-thiol (CID 173124603) is 5-methyl-5-silyloxyhexane-3-thiol.
What is the SMILES notation for 5-methyl-5-silyloxyhexane-3-thiol?
The canonical SMILES for 5-methyl-5-silyloxyhexane-3-thiol is CCC(S)CC(C)(C)O[SiH3].
What is the InChIKey of 5-methyl-5-silyloxyhexane-3-thiol?
The InChIKey is IZCQWYORJNELEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSSi/c1-4-6(9)5-7(2,3)8-10/h6,9H,4-5H2,1-3,10H3.
What are the key properties of 5-methyl-5-silyloxyhexane-3-thiol?
5-methyl-5-silyloxyhexane-3-thiol has a molecular weight of 178.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-silyloxyhexane-3-thiol is sourced from PubChem (CID 173124603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).