2-cyclohexyl-1,1,2-triethoxysilinane

C17H34O3Si — CID 174374685

IUPAC2-cyclohexyl-1,1,2-triethoxysilinane
SMILESCCOC1(C2CCCCC2)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C17H34O3Si/c1-4-18-17(16-12-8-7-9-13-16)14-10-11-15-21(17,19-5-2)20-6-3/h16H,4-15H2,1-3H3
InChIKeyNXZFTRQVZXXZIX-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.58
Rot. Bonds7

About 2-cyclohexyl-1,1,2-triethoxysilinane

2-cyclohexyl-1,1,2-triethoxysilinane (PubChem CID 174374685) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 2-cyclohexyl-1,1,2-triethoxysilinane.

Molecular Properties

Compound Name2-cyclohexyl-1,1,2-triethoxysilinane
PubChem CID174374685
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name2-cyclohexyl-1,1,2-triethoxysilinane
SMILESCCOC1(C2CCCCC2)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C17H34O3Si/c1-4-18-17(16-12-8-7-9-13-16)14-10-11-15-21(17,19-5-2)20-6-3/h16H,4-15H2,1-3H3
InChIKeyNXZFTRQVZXXZIX-UHFFFAOYSA-N
XLogP4.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.58
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-cyclohexyl-1,1,2-triethoxysilinane?
The IUPAC name of 2-cyclohexyl-1,1,2-triethoxysilinane (CID 174374685) is 2-cyclohexyl-1,1,2-triethoxysilinane.
What is the SMILES notation for 2-cyclohexyl-1,1,2-triethoxysilinane?
The canonical SMILES for 2-cyclohexyl-1,1,2-triethoxysilinane is CCOC1(C2CCCCC2)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 2-cyclohexyl-1,1,2-triethoxysilinane?
The InChIKey is NXZFTRQVZXXZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-4-18-17(16-12-8-7-9-13-16)14-10-11-15-21(17,19-5-2)20-6-3/h16H,4-15H2,1-3H3.
What are the key properties of 2-cyclohexyl-1,1,2-triethoxysilinane?
2-cyclohexyl-1,1,2-triethoxysilinane has a molecular weight of 314.54 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,1,2-triethoxysilinane is sourced from PubChem (CID 174374685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).