5-ethyl-5-silyloxyheptane-1-thiol

C9H22OSSi — CID 173257557

IUPAC5-ethyl-5-silyloxyheptane-1-thiol
SMILESCCC(CC)(CCCCS)O[SiH3]
InChIInChI=1S/C9H22OSSi/c1-3-9(4-2,10-12)7-5-6-8-11/h11H,3-8H2,1-2,12H3
InChIKeyKUJXMNLJDWZGMB-UHFFFAOYSA-N
MW206.43 g/mol
LogP1.94
Rot. Bonds7

About 5-ethyl-5-silyloxyheptane-1-thiol

5-ethyl-5-silyloxyheptane-1-thiol (PubChem CID 173257557) has the molecular formula C9H22OSSi and a molecular weight of 206.43 g/mol. Its IUPAC name is 5-ethyl-5-silyloxyheptane-1-thiol.

Molecular Properties

Compound Name5-ethyl-5-silyloxyheptane-1-thiol
PubChem CID173257557
Molecular FormulaC9H22OSSi
Molecular Weight206.43 g/mol
Exact Mass206.12
IUPAC Name5-ethyl-5-silyloxyheptane-1-thiol
SMILESCCC(CC)(CCCCS)O[SiH3]
InChIInChI=1S/C9H22OSSi/c1-3-9(4-2,10-12)7-5-6-8-11/h11H,3-8H2,1-2,12H3
InChIKeyKUJXMNLJDWZGMB-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-ethyl-5-silyloxyheptane-1-thiol?
The IUPAC name of 5-ethyl-5-silyloxyheptane-1-thiol (CID 173257557) is 5-ethyl-5-silyloxyheptane-1-thiol.
What is the SMILES notation for 5-ethyl-5-silyloxyheptane-1-thiol?
The canonical SMILES for 5-ethyl-5-silyloxyheptane-1-thiol is CCC(CC)(CCCCS)O[SiH3].
What is the InChIKey of 5-ethyl-5-silyloxyheptane-1-thiol?
The InChIKey is KUJXMNLJDWZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22OSSi/c1-3-9(4-2,10-12)7-5-6-8-11/h11H,3-8H2,1-2,12H3.
What are the key properties of 5-ethyl-5-silyloxyheptane-1-thiol?
5-ethyl-5-silyloxyheptane-1-thiol has a molecular weight of 206.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-silyloxyheptane-1-thiol is sourced from PubChem (CID 173257557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).