diethoxy-methyl-octylsilane

C13H30O2Si — CID 13222362

IUPACdiethoxy-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(OCC)OCC
InChIInChI=1S/C13H30O2Si/c1-5-8-9-10-11-12-13-16(4,14-6-2)15-7-3/h5-13H2,1-4H3
InChIKeyWQVJKRKRRMJKMC-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.49
Rot. Bonds11

About diethoxy-methyl-octylsilane

diethoxy-methyl-octylsilane (PubChem CID 13222362) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is diethoxy-methyl-octylsilane.

Molecular Properties

Compound Namediethoxy-methyl-octylsilane
PubChem CID13222362
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Namediethoxy-methyl-octylsilane
SMILESCCCCCCCC[Si](C)(OCC)OCC
InChIInChI=1S/C13H30O2Si/c1-5-8-9-10-11-12-13-16(4,14-6-2)15-7-3/h5-13H2,1-4H3
InChIKeyWQVJKRKRRMJKMC-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.49
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 diethoxy-methyl-octylsilane?
The IUPAC name of diethoxy-methyl-octylsilane (CID 13222362) is diethoxy-methyl-octylsilane.
What is the SMILES notation for diethoxy-methyl-octylsilane?
The canonical SMILES for diethoxy-methyl-octylsilane is CCCCCCCC[Si](C)(OCC)OCC.
What is the InChIKey of diethoxy-methyl-octylsilane?
The InChIKey is WQVJKRKRRMJKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-5-8-9-10-11-12-13-16(4,14-6-2)15-7-3/h5-13H2,1-4H3.
What are the key properties of diethoxy-methyl-octylsilane?
diethoxy-methyl-octylsilane has a molecular weight of 246.47 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-octylsilane is sourced from PubChem (CID 13222362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).