CID 22558571

C9H18NO2SSi — CID 22558571

IUPAC—
SMILESCCO[Si](CCCCSC#N)OCC
InChIInChI=1S/C9H18NO2SSi/c1-3-11-14(12-4-2)8-6-5-7-13-9-10/h3-8H2,1-2H3
InChIKeyFLCXZWKVZMVMOU-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.54
Rot. Bonds9

About CID 22558571

CID 22558571 (PubChem CID 22558571) has the molecular formula C9H18NO2SSi and a molecular weight of 232.40 g/mol.

Molecular Properties

Compound NameCID 22558571
PubChem CID22558571
Molecular FormulaC9H18NO2SSi
Molecular Weight232.40 g/mol
Exact Mass232.08
IUPAC Name—
SMILESCCO[Si](CCCCSC#N)OCC
InChIInChI=1S/C9H18NO2SSi/c1-3-11-14(12-4-2)8-6-5-7-13-9-10/h3-8H2,1-2H3
InChIKeyFLCXZWKVZMVMOU-UHFFFAOYSA-N
XLogP2.54
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 CID 22558571?
The IUPAC name of CID 22558571 (CID 22558571) is not available.
What is the SMILES notation for CID 22558571?
The canonical SMILES for CID 22558571 is CCO[Si](CCCCSC#N)OCC.
What is the InChIKey of CID 22558571?
The InChIKey is FLCXZWKVZMVMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO2SSi/c1-3-11-14(12-4-2)8-6-5-7-13-9-10/h3-8H2,1-2H3.
What are the key properties of CID 22558571?
CID 22558571 has a molecular weight of 232.40 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22558571 is sourced from PubChem (CID 22558571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).