tert-butyl-diethoxy-undecylsilane

C19H42O2Si — CID 18990597

IUPACtert-butyl-diethoxy-undecylsilane
SMILESCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/C19H42O2Si/c1-7-10-11-12-13-14-15-16-17-18-22(20-8-2,21-9-3)19(4,5)6/h7-18H2,1-6H3
InChIKeyXLUPCJFNHXEOHE-UHFFFAOYSA-N
MW330.63 g/mol
LogP6.83
Rot. Bonds14

About tert-butyl-diethoxy-undecylsilane

tert-butyl-diethoxy-undecylsilane (PubChem CID 18990597) has the molecular formula C19H42O2Si and a molecular weight of 330.63 g/mol. Its IUPAC name is tert-butyl-diethoxy-undecylsilane.

Molecular Properties

Compound Nametert-butyl-diethoxy-undecylsilane
PubChem CID18990597
Molecular FormulaC19H42O2Si
Molecular Weight330.63 g/mol
Exact Mass330.30
IUPAC Nametert-butyl-diethoxy-undecylsilane
SMILESCCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C
InChIInChI=1S/C19H42O2Si/c1-7-10-11-12-13-14-15-16-17-18-22(20-8-2,21-9-3)19(4,5)6/h7-18H2,1-6H3
InChIKeyXLUPCJFNHXEOHE-UHFFFAOYSA-N
XLogP6.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.63
LogP ≤ 56.83
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-diethoxy-undecylsilane?
The IUPAC name of tert-butyl-diethoxy-undecylsilane (CID 18990597) is tert-butyl-diethoxy-undecylsilane.
What is the SMILES notation for tert-butyl-diethoxy-undecylsilane?
The canonical SMILES for tert-butyl-diethoxy-undecylsilane is CCCCCCCCCCC[Si](OCC)(OCC)C(C)(C)C.
What is the InChIKey of tert-butyl-diethoxy-undecylsilane?
The InChIKey is XLUPCJFNHXEOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O2Si/c1-7-10-11-12-13-14-15-16-17-18-22(20-8-2,21-9-3)19(4,5)6/h7-18H2,1-6H3.
What are the key properties of tert-butyl-diethoxy-undecylsilane?
tert-butyl-diethoxy-undecylsilane has a molecular weight of 330.63 g/mol, XLogP of 6.83, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diethoxy-undecylsilane is sourced from PubChem (CID 18990597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).