4-methyl-4-silyloxypentane-1-thiol

C6H16OSSi — CID 173005319

IUPAC4-methyl-4-silyloxypentane-1-thiol
SMILESCC(C)(CCCS)O[SiH3]
InChIInChI=1S/C6H16OSSi/c1-6(2,7-9)4-3-5-8/h8H,3-5H2,1-2,9H3
InChIKeyFTACIGADMSBCFS-UHFFFAOYSA-N
MW164.35 g/mol
LogP0.77
Rot. Bonds4

About 4-methyl-4-silyloxypentane-1-thiol

4-methyl-4-silyloxypentane-1-thiol (PubChem CID 173005319) has the molecular formula C6H16OSSi and a molecular weight of 164.35 g/mol. Its IUPAC name is 4-methyl-4-silyloxypentane-1-thiol.

Molecular Properties

Compound Name4-methyl-4-silyloxypentane-1-thiol
PubChem CID173005319
Molecular FormulaC6H16OSSi
Molecular Weight164.35 g/mol
Exact Mass164.07
IUPAC Name4-methyl-4-silyloxypentane-1-thiol
SMILESCC(C)(CCCS)O[SiH3]
InChIInChI=1S/C6H16OSSi/c1-6(2,7-9)4-3-5-8/h8H,3-5H2,1-2,9H3
InChIKeyFTACIGADMSBCFS-UHFFFAOYSA-N
XLogP0.77
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 4-methyl-4-silyloxypentane-1-thiol?
The IUPAC name of 4-methyl-4-silyloxypentane-1-thiol (CID 173005319) is 4-methyl-4-silyloxypentane-1-thiol.
What is the SMILES notation for 4-methyl-4-silyloxypentane-1-thiol?
The canonical SMILES for 4-methyl-4-silyloxypentane-1-thiol is CC(C)(CCCS)O[SiH3].
What is the InChIKey of 4-methyl-4-silyloxypentane-1-thiol?
The InChIKey is FTACIGADMSBCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16OSSi/c1-6(2,7-9)4-3-5-8/h8H,3-5H2,1-2,9H3.
What are the key properties of 4-methyl-4-silyloxypentane-1-thiol?
4-methyl-4-silyloxypentane-1-thiol has a molecular weight of 164.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-silyloxypentane-1-thiol is sourced from PubChem (CID 173005319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).