11-silylundecane-1-thiol

C11H26SSi — CID 172796267

IUPAC11-silylundecane-1-thiol
SMILES[SiH3]CCCCCCCCCCCS
InChIInChI=1S/C11H26SSi/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11H2,13H3
InChIKeyQFWVANVDCSMKNL-UHFFFAOYSA-N
MW218.48 g/mol
LogP3.21
Rot. Bonds10

About 11-silylundecane-1-thiol

11-silylundecane-1-thiol (PubChem CID 172796267) has the molecular formula C11H26SSi and a molecular weight of 218.48 g/mol. Its IUPAC name is 11-silylundecane-1-thiol.

Molecular Properties

Compound Name11-silylundecane-1-thiol
PubChem CID172796267
Molecular FormulaC11H26SSi
Molecular Weight218.48 g/mol
Exact Mass218.15
IUPAC Name11-silylundecane-1-thiol
SMILES[SiH3]CCCCCCCCCCCS
InChIInChI=1S/C11H26SSi/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11H2,13H3
InChIKeyQFWVANVDCSMKNL-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 11-silylundecane-1-thiol?
The IUPAC name of 11-silylundecane-1-thiol (CID 172796267) is 11-silylundecane-1-thiol.
What is the SMILES notation for 11-silylundecane-1-thiol?
The canonical SMILES for 11-silylundecane-1-thiol is [SiH3]CCCCCCCCCCCS.
What is the InChIKey of 11-silylundecane-1-thiol?
The InChIKey is QFWVANVDCSMKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26SSi/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11H2,13H3.
What are the key properties of 11-silylundecane-1-thiol?
11-silylundecane-1-thiol has a molecular weight of 218.48 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-silylundecane-1-thiol is sourced from PubChem (CID 172796267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).