diethyl-heptoxy-(3-methylbutoxy)silane

C16H36O2Si — CID 91739229

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

About diethyl-heptoxy-(3-methylbutoxy)silane

diethyl-heptoxy-(3-methylbutoxy)silane (PubChem CID 91739229) has the molecular formula C16H36O2Si and a molecular weight of 288.55 g/mol. Its IUPAC name is diethyl-heptoxy-(3-methylbutoxy)silane.

Molecular Properties

Compound Namediethyl-heptoxy-(3-methylbutoxy)silane
PubChem CID91739229
Molecular FormulaC16H36O2Si
Molecular Weight288.55 g/mol
Exact Mass288.25
IUPAC Namediethyl-heptoxy-(3-methylbutoxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OCCC(C)C
InChIInChI=1S/C16H36O2Si/c1-6-9-10-11-12-14-17-19(7-2,8-3)18-15-13-16(4)5/h16H,6-15H2,1-5H3
InChIKeyVJZDBMMXFSIFTF-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-heptoxy-(3-methylbutoxy)silane?
The IUPAC name of diethyl-heptoxy-(3-methylbutoxy)silane (CID 91739229) is diethyl-heptoxy-(3-methylbutoxy)silane.
What is the SMILES notation for diethyl-heptoxy-(3-methylbutoxy)silane?
The canonical SMILES for diethyl-heptoxy-(3-methylbutoxy)silane is CCCCCCCO[Si](CC)(CC)OCCC(C)C.
What is the InChIKey of diethyl-heptoxy-(3-methylbutoxy)silane?
The InChIKey is VJZDBMMXFSIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O2Si/c1-6-9-10-11-12-14-17-19(7-2,8-3)18-15-13-16(4)5/h16H,6-15H2,1-5H3.
What are the key properties of diethyl-heptoxy-(3-methylbutoxy)silane?
diethyl-heptoxy-(3-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-(3-methylbutoxy)silane is sourced from PubChem (CID 91739229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).