2-butan-2-yl-1,1,2-triethoxysilinane

C15H32O3Si — CID 174660627

IUPAC2-butan-2-yl-1,1,2-triethoxysilinane
SMILESCCOC1(C(C)CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C15H32O3Si/c1-6-14(5)15(16-7-2)12-10-11-13-19(15,17-8-3)18-9-4/h14H,6-13H2,1-5H3
InChIKeyKPKMURNLRCILLG-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.05
Rot. Bonds8

About 2-butan-2-yl-1,1,2-triethoxysilinane

2-butan-2-yl-1,1,2-triethoxysilinane (PubChem CID 174660627) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 2-butan-2-yl-1,1,2-triethoxysilinane.

Molecular Properties

Compound Name2-butan-2-yl-1,1,2-triethoxysilinane
PubChem CID174660627
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name2-butan-2-yl-1,1,2-triethoxysilinane
SMILESCCOC1(C(C)CC)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C15H32O3Si/c1-6-14(5)15(16-7-2)12-10-11-13-19(15,17-8-3)18-9-4/h14H,6-13H2,1-5H3
InChIKeyKPKMURNLRCILLG-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,1,2-triethoxysilinane?
The IUPAC name of 2-butan-2-yl-1,1,2-triethoxysilinane (CID 174660627) is 2-butan-2-yl-1,1,2-triethoxysilinane.
What is the SMILES notation for 2-butan-2-yl-1,1,2-triethoxysilinane?
The canonical SMILES for 2-butan-2-yl-1,1,2-triethoxysilinane is CCOC1(C(C)CC)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 2-butan-2-yl-1,1,2-triethoxysilinane?
The InChIKey is KPKMURNLRCILLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-6-14(5)15(16-7-2)12-10-11-13-19(15,17-8-3)18-9-4/h14H,6-13H2,1-5H3.
What are the key properties of 2-butan-2-yl-1,1,2-triethoxysilinane?
2-butan-2-yl-1,1,2-triethoxysilinane has a molecular weight of 288.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,1,2-triethoxysilinane is sourced from PubChem (CID 174660627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).