decan-2-yloxy-(2-methylpropoxy)-diphenylsilane

C26H40O2Si — CID 91738924

IUPACdecan-2-yloxy-(2-methylpropoxy)-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-5-6-7-8-9-12-17-24(4)28-29(27-22-23(2)3,25-18-13-10-14-19-25)26-20-15-11-16-21-26/h10-11,13-16,18-21,23-24H,5-9,12,17,22H2,1-4H3
InChIKeyYYFZKSVYUAIOAV-UHFFFAOYSA-N
MW412.69 g/mol
LogP6.07
Rot. Bonds14

About decan-2-yloxy-(2-methylpropoxy)-diphenylsilane

decan-2-yloxy-(2-methylpropoxy)-diphenylsilane (PubChem CID 91738924) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is decan-2-yloxy-(2-methylpropoxy)-diphenylsilane.

Molecular Properties

Compound Namedecan-2-yloxy-(2-methylpropoxy)-diphenylsilane
PubChem CID91738924
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Namedecan-2-yloxy-(2-methylpropoxy)-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-5-6-7-8-9-12-17-24(4)28-29(27-22-23(2)3,25-18-13-10-14-19-25)26-20-15-11-16-21-26/h10-11,13-16,18-21,23-24H,5-9,12,17,22H2,1-4H3
InChIKeyYYFZKSVYUAIOAV-UHFFFAOYSA-N
XLogP6.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 56.07
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'}

Analyze decan-2-yloxy-(2-methylpropoxy)-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of decan-2-yloxy-(2-methylpropoxy)-diphenylsilane?
The IUPAC name of decan-2-yloxy-(2-methylpropoxy)-diphenylsilane (CID 91738924) is decan-2-yloxy-(2-methylpropoxy)-diphenylsilane.
What is the SMILES notation for decan-2-yloxy-(2-methylpropoxy)-diphenylsilane?
The canonical SMILES for decan-2-yloxy-(2-methylpropoxy)-diphenylsilane is CCCCCCCCC(C)O[Si](OCC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of decan-2-yloxy-(2-methylpropoxy)-diphenylsilane?
The InChIKey is YYFZKSVYUAIOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-5-6-7-8-9-12-17-24(4)28-29(27-22-23(2)3,25-18-13-10-14-19-25)26-20-15-11-16-21-26/h10-11,13-16,18-21,23-24H,5-9,12,17,22H2,1-4H3.
What are the key properties of decan-2-yloxy-(2-methylpropoxy)-diphenylsilane?
decan-2-yloxy-(2-methylpropoxy)-diphenylsilane has a molecular weight of 412.69 g/mol, XLogP of 6.07, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yloxy-(2-methylpropoxy)-diphenylsilane is sourced from PubChem (CID 91738924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).