monochlorooctadecylsilane

C18H36ClSi — CID 53436209

IUPAC—
SMILES[Si]CCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C18H36ClSi/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-18H2
InChIKeySTXZXQAVSDLECO-UHFFFAOYSA-N
MW316.03 g/mol
LogP7.05
Rot. Bonds17

About monochlorooctadecylsilane

monochlorooctadecylsilane (PubChem CID 53436209) has the molecular formula C18H36ClSi and a molecular weight of 316.03 g/mol.

Molecular Properties

Compound Namemonochlorooctadecylsilane
PubChem CID53436209
Molecular FormulaC18H36ClSi
Molecular Weight316.03 g/mol
Exact Mass315.23
IUPAC Name—
SMILES[Si]CCCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C18H36ClSi/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-18H2
InChIKeySTXZXQAVSDLECO-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.03
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of monochlorooctadecylsilane?
The IUPAC name of monochlorooctadecylsilane (CID 53436209) is not available.
What is the SMILES notation for monochlorooctadecylsilane?
The canonical SMILES for monochlorooctadecylsilane is [Si]CCCCCCCCCCCCCCCCCCCl.
What is the InChIKey of monochlorooctadecylsilane?
The InChIKey is STXZXQAVSDLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36ClSi/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-18H2.
What are the key properties of monochlorooctadecylsilane?
monochlorooctadecylsilane has a molecular weight of 316.03 g/mol, XLogP of 7.05, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for monochlorooctadecylsilane is sourced from PubChem (CID 53436209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).