9-[methoxy(dimethyl)silyl]nonyl thiocyanate

C13H27NOSSi — CID 150333024

IUPAC9-[methoxy(dimethyl)silyl]nonyl thiocyanate
SMILESCO[Si](C)(C)CCCCCCCCCSC#N
InChIInChI=1S/C13H27NOSSi/c1-15-17(2,3)12-10-8-6-4-5-7-9-11-16-13-14/h4-12H2,1-3H3
InChIKeyGQBURKYIBVEBNV-UHFFFAOYSA-N
MW273.52 g/mol
LogP4.78
Rot. Bonds11

About 9-[methoxy(dimethyl)silyl]nonyl thiocyanate

9-[methoxy(dimethyl)silyl]nonyl thiocyanate (PubChem CID 150333024) has the molecular formula C13H27NOSSi and a molecular weight of 273.52 g/mol. Its IUPAC name is 9-[methoxy(dimethyl)silyl]nonyl thiocyanate.

Molecular Properties

Compound Name9-[methoxy(dimethyl)silyl]nonyl thiocyanate
PubChem CID150333024
Molecular FormulaC13H27NOSSi
Molecular Weight273.52 g/mol
Exact Mass273.16
IUPAC Name9-[methoxy(dimethyl)silyl]nonyl thiocyanate
SMILESCO[Si](C)(C)CCCCCCCCCSC#N
InChIInChI=1S/C13H27NOSSi/c1-15-17(2,3)12-10-8-6-4-5-7-9-11-16-13-14/h4-12H2,1-3H3
InChIKeyGQBURKYIBVEBNV-UHFFFAOYSA-N
XLogP4.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[methoxy(dimethyl)silyl]nonyl thiocyanate?
The IUPAC name of 9-[methoxy(dimethyl)silyl]nonyl thiocyanate (CID 150333024) is 9-[methoxy(dimethyl)silyl]nonyl thiocyanate.
What is the SMILES notation for 9-[methoxy(dimethyl)silyl]nonyl thiocyanate?
The canonical SMILES for 9-[methoxy(dimethyl)silyl]nonyl thiocyanate is CO[Si](C)(C)CCCCCCCCCSC#N.
What is the InChIKey of 9-[methoxy(dimethyl)silyl]nonyl thiocyanate?
The InChIKey is GQBURKYIBVEBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOSSi/c1-15-17(2,3)12-10-8-6-4-5-7-9-11-16-13-14/h4-12H2,1-3H3.
What are the key properties of 9-[methoxy(dimethyl)silyl]nonyl thiocyanate?
9-[methoxy(dimethyl)silyl]nonyl thiocyanate has a molecular weight of 273.52 g/mol, XLogP of 4.78, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[methoxy(dimethyl)silyl]nonyl thiocyanate is sourced from PubChem (CID 150333024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).