decan-2-yloxy-(4-methylpentoxy)-diphenylsilane

C28H44O2Si — CID 91740885

IUPACdecan-2-yloxy-(4-methylpentoxy)-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-5-6-7-8-9-12-19-26(4)30-31(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-18-25(2)3/h10-11,13-16,20-23,25-26H,5-9,12,17-19,24H2,1-4H3
InChIKeyIKFZMJIXONUEFV-UHFFFAOYSA-N
MW440.74 g/mol
LogP6.85
Rot. Bonds16

About decan-2-yloxy-(4-methylpentoxy)-diphenylsilane

decan-2-yloxy-(4-methylpentoxy)-diphenylsilane (PubChem CID 91740885) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is decan-2-yloxy-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Namedecan-2-yloxy-(4-methylpentoxy)-diphenylsilane
PubChem CID91740885
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Namedecan-2-yloxy-(4-methylpentoxy)-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-5-6-7-8-9-12-19-26(4)30-31(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-18-25(2)3/h10-11,13-16,20-23,25-26H,5-9,12,17-19,24H2,1-4H3
InChIKeyIKFZMJIXONUEFV-UHFFFAOYSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 56.85
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 decan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of decan-2-yloxy-(4-methylpentoxy)-diphenylsilane (CID 91740885) is decan-2-yloxy-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for decan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for decan-2-yloxy-(4-methylpentoxy)-diphenylsilane is CCCCCCCCC(C)O[Si](OCCCC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of decan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
The InChIKey is IKFZMJIXONUEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-5-6-7-8-9-12-19-26(4)30-31(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-18-25(2)3/h10-11,13-16,20-23,25-26H,5-9,12,17-19,24H2,1-4H3.
What are the key properties of decan-2-yloxy-(4-methylpentoxy)-diphenylsilane?
decan-2-yloxy-(4-methylpentoxy)-diphenylsilane has a molecular weight of 440.74 g/mol, XLogP of 6.85, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yloxy-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91740885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).