4-methyl-4-silyloxyhexane-1-thiol

C7H18OSSi — CID 173160785

IUPAC4-methyl-4-silyloxyhexane-1-thiol
SMILESCCC(C)(CCCS)O[SiH3]
InChIInChI=1S/C7H18OSSi/c1-3-7(2,8-10)5-4-6-9/h9H,3-6H2,1-2,10H3
InChIKeyAOVPUJVUDQEFPP-UHFFFAOYSA-N
MW178.37 g/mol
LogP1.16
Rot. Bonds5

About 4-methyl-4-silyloxyhexane-1-thiol

4-methyl-4-silyloxyhexane-1-thiol (PubChem CID 173160785) has the molecular formula C7H18OSSi and a molecular weight of 178.37 g/mol. Its IUPAC name is 4-methyl-4-silyloxyhexane-1-thiol.

Molecular Properties

Compound Name4-methyl-4-silyloxyhexane-1-thiol
PubChem CID173160785
Molecular FormulaC7H18OSSi
Molecular Weight178.37 g/mol
Exact Mass178.08
IUPAC Name4-methyl-4-silyloxyhexane-1-thiol
SMILESCCC(C)(CCCS)O[SiH3]
InChIInChI=1S/C7H18OSSi/c1-3-7(2,8-10)5-4-6-9/h9H,3-6H2,1-2,10H3
InChIKeyAOVPUJVUDQEFPP-UHFFFAOYSA-N
XLogP1.16
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 4-methyl-4-silyloxyhexane-1-thiol?
The IUPAC name of 4-methyl-4-silyloxyhexane-1-thiol (CID 173160785) is 4-methyl-4-silyloxyhexane-1-thiol.
What is the SMILES notation for 4-methyl-4-silyloxyhexane-1-thiol?
The canonical SMILES for 4-methyl-4-silyloxyhexane-1-thiol is CCC(C)(CCCS)O[SiH3].
What is the InChIKey of 4-methyl-4-silyloxyhexane-1-thiol?
The InChIKey is AOVPUJVUDQEFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18OSSi/c1-3-7(2,8-10)5-4-6-9/h9H,3-6H2,1-2,10H3.
What are the key properties of 4-methyl-4-silyloxyhexane-1-thiol?
4-methyl-4-silyloxyhexane-1-thiol has a molecular weight of 178.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-silyloxyhexane-1-thiol is sourced from PubChem (CID 173160785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).