diethyl-hexoxy-(2-methylpentoxy)silane

C16H36O2Si — CID 91739188

IUPACdiethyl-hexoxy-(2-methylpentoxy)silane
SMILESCCCCCCO[Si](CC)(CC)OCC(C)CCC
InChIInChI=1S/C16H36O2Si/c1-6-10-11-12-14-17-19(8-3,9-4)18-15-16(5)13-7-2/h16H,6-15H2,1-5H3
InChIKeyDXJLDGDNTJKXAV-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.52
Rot. Bonds13

About diethyl-hexoxy-(2-methylpentoxy)silane

diethyl-hexoxy-(2-methylpentoxy)silane (PubChem CID 91739188) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is diethyl-hexoxy-(2-methylpentoxy)silane.

Molecular Properties

Compound Namediethyl-hexoxy-(2-methylpentoxy)silane
PubChem CID91739188
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namediethyl-hexoxy-(2-methylpentoxy)silane
SMILESCCCCCCO[Si](CC)(CC)OCC(C)CCC
InChIInChI=1S/C16H36O2Si/c1-6-10-11-12-14-17-19(8-3,9-4)18-15-16(5)13-7-2/h16H,6-15H2,1-5H3
InChIKeyDXJLDGDNTJKXAV-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.55
LogP ≤ 55.52
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 diethyl-hexoxy-(2-methylpentoxy)silane?
The IUPAC name of diethyl-hexoxy-(2-methylpentoxy)silane (CID 91739188) is diethyl-hexoxy-(2-methylpentoxy)silane.
What is the SMILES notation for diethyl-hexoxy-(2-methylpentoxy)silane?
The canonical SMILES for diethyl-hexoxy-(2-methylpentoxy)silane is CCCCCCO[Si](CC)(CC)OCC(C)CCC.
What is the InChIKey of diethyl-hexoxy-(2-methylpentoxy)silane?
The InChIKey is DXJLDGDNTJKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-6-10-11-12-14-17-19(8-3,9-4)18-15-16(5)13-7-2/h16H,6-15H2,1-5H3.
What are the key properties of diethyl-hexoxy-(2-methylpentoxy)silane?
diethyl-hexoxy-(2-methylpentoxy)silane has a molecular weight of 288.55 g/mol, XLogP of 5.52, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexoxy-(2-methylpentoxy)silane is sourced from PubChem (CID 91739188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).