diethyl-(2-methylpropoxy)-octan-4-yloxysilane

C16H36O2Si — CID 91699659

IUPACdiethyl-(2-methylpropoxy)-octan-4-yloxysilane
SMILESCCCCC(CCC)O[Si](CC)(CC)OCC(C)C
InChIInChI=1S/C16H36O2Si/c1-7-11-13-16(12-8-2)18-19(9-3,10-4)17-14-15(5)6/h15-16H,7-14H2,1-6H3
InChIKeyZBGLPXOCNRWQIX-UHFFFAOYSA-N
MW288.55 g/mol
LogP5.52
Rot. Bonds12

About diethyl-(2-methylpropoxy)-octan-4-yloxysilane

diethyl-(2-methylpropoxy)-octan-4-yloxysilane (PubChem CID 91699659) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is diethyl-(2-methylpropoxy)-octan-4-yloxysilane.

Molecular Properties

Compound Namediethyl-(2-methylpropoxy)-octan-4-yloxysilane
PubChem CID91699659
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namediethyl-(2-methylpropoxy)-octan-4-yloxysilane
SMILESCCCCC(CCC)O[Si](CC)(CC)OCC(C)C
InChIInChI=1S/C16H36O2Si/c1-7-11-13-16(12-8-2)18-19(9-3,10-4)17-14-15(5)6/h15-16H,7-14H2,1-6H3
InChIKeyZBGLPXOCNRWQIX-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
Silane, dimethyldi(2-octyloxy)-
CID 85708223
2-nonanol, tBDMS
CID 6430237
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
1-(Dimethyldodecylsilyloxy)pentane
CID 531759
2-decanol, tBDMS
CID 6430226
Silane, dimethyl(3-heptyloxy)isohexyloxy-
CID 91698390
Silane, diethylisohexyloxy(4-methylpent-2-yloxy)-
CID 91698408
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, diethylisohexyloxy(4-octyloxy)-
CID 91698414
Silane, diethyl(6-ethyloct-3-yloxy)propoxy-
CID 91714695
Silane, diethyl(4-octyloxy)propoxy-
CID 91714757

Frequently Asked Questions

What is the IUPAC name of diethyl-(2-methylpropoxy)-octan-4-yloxysilane?
The IUPAC name of diethyl-(2-methylpropoxy)-octan-4-yloxysilane (CID 91699659) is diethyl-(2-methylpropoxy)-octan-4-yloxysilane.
What is the SMILES notation for diethyl-(2-methylpropoxy)-octan-4-yloxysilane?
The canonical SMILES for diethyl-(2-methylpropoxy)-octan-4-yloxysilane is CCCCC(CCC)O[Si](CC)(CC)OCC(C)C.
What is the InChIKey of diethyl-(2-methylpropoxy)-octan-4-yloxysilane?
The InChIKey is ZBGLPXOCNRWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-7-11-13-16(12-8-2)18-19(9-3,10-4)17-14-15(5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of diethyl-(2-methylpropoxy)-octan-4-yloxysilane?
diethyl-(2-methylpropoxy)-octan-4-yloxysilane has a molecular weight of 288.55 g/mol, XLogP of 5.52, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-methylpropoxy)-octan-4-yloxysilane is sourced from PubChem (CID 91699659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).