diethyl-heptoxy-(2-methylpentan-3-yloxy)silane

C17H38O2Si — CID 91740262

IUPACdiethyl-heptoxy-(2-methylpentan-3-yloxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OC(CC)C(C)C
InChIInChI=1S/C17H38O2Si/c1-7-11-12-13-14-15-18-20(9-3,10-4)19-17(8-2)16(5)6/h16-17H,7-15H2,1-6H3
InChIKeyQLRLCDLWVSIMOF-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.91
Rot. Bonds13

About diethyl-heptoxy-(2-methylpentan-3-yloxy)silane

diethyl-heptoxy-(2-methylpentan-3-yloxy)silane (PubChem CID 91740262) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is diethyl-heptoxy-(2-methylpentan-3-yloxy)silane.

Molecular Properties

Compound Namediethyl-heptoxy-(2-methylpentan-3-yloxy)silane
PubChem CID91740262
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Namediethyl-heptoxy-(2-methylpentan-3-yloxy)silane
SMILESCCCCCCCO[Si](CC)(CC)OC(CC)C(C)C
InChIInChI=1S/C17H38O2Si/c1-7-11-12-13-14-15-18-20(9-3,10-4)19-17(8-2)16(5)6/h16-17H,7-15H2,1-6H3
InChIKeyQLRLCDLWVSIMOF-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.91
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-(2-methylpentan-3-yloxy)silane?
The IUPAC name of diethyl-heptoxy-(2-methylpentan-3-yloxy)silane (CID 91740262) is diethyl-heptoxy-(2-methylpentan-3-yloxy)silane.
What is the SMILES notation for diethyl-heptoxy-(2-methylpentan-3-yloxy)silane?
The canonical SMILES for diethyl-heptoxy-(2-methylpentan-3-yloxy)silane is CCCCCCCO[Si](CC)(CC)OC(CC)C(C)C.
What is the InChIKey of diethyl-heptoxy-(2-methylpentan-3-yloxy)silane?
The InChIKey is QLRLCDLWVSIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-7-11-12-13-14-15-18-20(9-3,10-4)19-17(8-2)16(5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of diethyl-heptoxy-(2-methylpentan-3-yloxy)silane?
diethyl-heptoxy-(2-methylpentan-3-yloxy)silane has a molecular weight of 302.58 g/mol, XLogP of 5.91, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-heptoxy-(2-methylpentan-3-yloxy)silane is sourced from PubChem (CID 91740262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).