tert-butyl-ethoxy-methoxy-nonylsilane

C16H36O2Si — CID 18990631

IUPACtert-butyl-ethoxy-methoxy-nonylsilane
SMILESCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-7-9-10-11-12-13-14-15-19(17-6,18-8-2)16(3,4)5/h7-15H2,1-6H3
InChIKeyLLNRVKODQBOLAD-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.66
Rot. Bonds11

About tert-butyl-ethoxy-methoxy-nonylsilane

tert-butyl-ethoxy-methoxy-nonylsilane (PubChem CID 18990631) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is tert-butyl-ethoxy-methoxy-nonylsilane.

Molecular Properties

Compound Nametert-butyl-ethoxy-methoxy-nonylsilane
PubChem CID18990631
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Nametert-butyl-ethoxy-methoxy-nonylsilane
SMILESCCCCCCCCC[Si](OC)(OCC)C(C)(C)C
InChIInChI=1S/C16H36O2Si/c1-7-9-10-11-12-13-14-15-19(17-6,18-8-2)16(3,4)5/h7-15H2,1-6H3
InChIKeyLLNRVKODQBOLAD-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.66
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-nonylsilane?
The IUPAC name of tert-butyl-ethoxy-methoxy-nonylsilane (CID 18990631) is tert-butyl-ethoxy-methoxy-nonylsilane.
What is the SMILES notation for tert-butyl-ethoxy-methoxy-nonylsilane?
The canonical SMILES for tert-butyl-ethoxy-methoxy-nonylsilane is CCCCCCCCC[Si](OC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-ethoxy-methoxy-nonylsilane?
The InChIKey is LLNRVKODQBOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-7-9-10-11-12-13-14-15-19(17-6,18-8-2)16(3,4)5/h7-15H2,1-6H3.
What are the key properties of tert-butyl-ethoxy-methoxy-nonylsilane?
tert-butyl-ethoxy-methoxy-nonylsilane has a molecular weight of 288.55 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-ethoxy-methoxy-nonylsilane is sourced from PubChem (CID 18990631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).