tert-butyl-ethoxy-methoxy-octadecylsilane

C25H54O2Si — CID 18990626

IUPACtert-butyl-ethoxy-methoxy-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C25H54O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(26-6,27-8-2)25(3,4)5/h7-24H2,1-6H3
InChIKeyGRMNRVMRKZAIKL-UHFFFAOYSA-N
MW414.79 g/mol
LogP9.17
Rot. Bonds20

About tert-butyl-ethoxy-methoxy-octadecylsilane

tert-butyl-ethoxy-methoxy-octadecylsilane (PubChem CID 18990626) has the molecular formula C25H54O2Si and a molecular weight of 414.79 g/mol. Its IUPAC name is tert-butyl-ethoxy-methoxy-octadecylsilane.

Molecular Properties

Compound Nametert-butyl-ethoxy-methoxy-octadecylsilane
PubChem CID18990626
Molecular FormulaC25H54O2Si
Molecular Weight414.79 g/mol
Exact Mass414.39
IUPAC Nametert-butyl-ethoxy-methoxy-octadecylsilane
SMILESCCCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C25H54O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(26-6,27-8-2)25(3,4)5/h7-24H2,1-6H3
InChIKeyGRMNRVMRKZAIKL-UHFFFAOYSA-N
XLogP9.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.79
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-ethoxy-methoxy-octadecylsilane?
The IUPAC name of tert-butyl-ethoxy-methoxy-octadecylsilane (CID 18990626) is tert-butyl-ethoxy-methoxy-octadecylsilane.
What is the SMILES notation for tert-butyl-ethoxy-methoxy-octadecylsilane?
The canonical SMILES for tert-butyl-ethoxy-methoxy-octadecylsilane is CCCCCCCCCCCCCCCCCC[Si](OC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-ethoxy-methoxy-octadecylsilane?
The InChIKey is GRMNRVMRKZAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O2Si/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(26-6,27-8-2)25(3,4)5/h7-24H2,1-6H3.
What are the key properties of tert-butyl-ethoxy-methoxy-octadecylsilane?
tert-butyl-ethoxy-methoxy-octadecylsilane has a molecular weight of 414.79 g/mol, XLogP of 9.17, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethoxy-methoxy-octadecylsilane is sourced from PubChem (CID 18990626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).