diethyl-heptoxy-(2-methylbutoxy)silane

C16H36O2Si — CID 91739232

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

About diethyl-heptoxy-(2-methylbutoxy)silane

diethyl-heptoxy-(2-methylbutoxy)silane (PubChem CID 91739232) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is diethyl-heptoxy-(2-methylbutoxy)silane.

Molecular Properties

Compound Namediethyl-heptoxy-(2-methylbutoxy)silane
PubChem CID91739232
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namediethyl-heptoxy-(2-methylbutoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCC(C)CC
InChIInChI=1S/C16H36O2Si/c1-6-10-11-12-13-14-17-19(8-3,9-4)18-15-16(5)7-2/h16H,6-15H2,1-5H3
InChIKeyWAYYVNHXKHITCA-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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Related Compounds

Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
1,8-octanediol, tBDMS
CID 6430203
Tert-butyldimethyl(nonyloxy)silane
CID 6430217
1-Octanol, tBDMS
CID 6430219
Silane, dimethyloctyloxyoctyloxy-
CID 14228745
Silane, dimethyldecyloxydecyloxy-
CID 23342514
Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
1-Triethylsilyloxydecane
CID 523468
1-Tripropylsilyloxytetradecane
CID 523478
Diheptyloxydimethylsilane
CID 525743

Frequently Asked Questions

What is the IUPAC name of diethyl-heptoxy-(2-methylbutoxy)silane?
The IUPAC name of diethyl-heptoxy-(2-methylbutoxy)silane (CID 91739232) is diethyl-heptoxy-(2-methylbutoxy)silane.
What is the SMILES notation for diethyl-heptoxy-(2-methylbutoxy)silane?
The canonical SMILES for diethyl-heptoxy-(2-methylbutoxy)silane is CCCCCCCO[Si](CC)(CC)OCC(C)CC.
What is the InChIKey of diethyl-heptoxy-(2-methylbutoxy)silane?
The InChIKey is WAYYVNHXKHITCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-6-10-11-12-13-14-17-19(8-3,9-4)18-15-16(5)7-2/h16H,6-15H2,1-5H3.
What are the key properties of diethyl-heptoxy-(2-methylbutoxy)silane?
diethyl-heptoxy-(2-methylbutoxy)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-heptoxy-(2-methylbutoxy)silane is sourced from PubChem (CID 91739232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).