9-trimethylsilylnon-8-yne-1-thiol

C12H24SSi — CID 150811852

IUPAC9-trimethylsilylnon-8-yne-1-thiol
SMILESC[Si](C)(C)C#CCCCCCCCS
InChIInChI=1S/C12H24SSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h13H,4-9,11H2,1-3H3
InChIKeyKIBLDABEGIRMTH-UHFFFAOYSA-N
MW228.48 g/mol
LogP4.14
Rot. Bonds6

About 9-trimethylsilylnon-8-yne-1-thiol

9-trimethylsilylnon-8-yne-1-thiol (PubChem CID 150811852) has the molecular formula C12H24SSi and a molecular weight of 228.48 g/mol. Its IUPAC name is 9-trimethylsilylnon-8-yne-1-thiol.

Molecular Properties

Compound Name9-trimethylsilylnon-8-yne-1-thiol
PubChem CID150811852
Molecular FormulaC12H24SSi
Molecular Weight228.48 g/mol
Exact Mass228.14
IUPAC Name9-trimethylsilylnon-8-yne-1-thiol
SMILESC[Si](C)(C)C#CCCCCCCCS
InChIInChI=1S/C12H24SSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h13H,4-9,11H2,1-3H3
InChIKeyKIBLDABEGIRMTH-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.48
LogP ≤ 54.14
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-trimethylsilylnon-8-yne-1-thiol?
The IUPAC name of 9-trimethylsilylnon-8-yne-1-thiol (CID 150811852) is 9-trimethylsilylnon-8-yne-1-thiol.
What is the SMILES notation for 9-trimethylsilylnon-8-yne-1-thiol?
The canonical SMILES for 9-trimethylsilylnon-8-yne-1-thiol is C[Si](C)(C)C#CCCCCCCCS.
What is the InChIKey of 9-trimethylsilylnon-8-yne-1-thiol?
The InChIKey is KIBLDABEGIRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24SSi/c1-14(2,3)12-10-8-6-4-5-7-9-11-13/h13H,4-9,11H2,1-3H3.
What are the key properties of 9-trimethylsilylnon-8-yne-1-thiol?
9-trimethylsilylnon-8-yne-1-thiol has a molecular weight of 228.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-trimethylsilylnon-8-yne-1-thiol is sourced from PubChem (CID 150811852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).