decan-2-yloxy-hexoxy-diphenylsilane

C28H44O2Si — CID 91740886

IUPACdecan-2-yloxy-hexoxy-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-4-6-8-10-11-14-20-26(3)30-31(27-21-15-12-16-22-27,28-23-17-13-18-24-28)29-25-19-9-7-5-2/h12-13,15-18,21-24,26H,4-11,14,19-20,25H2,1-3H3
InChIKeyNRXFNBGGTWXHTQ-UHFFFAOYSA-N
MW440.74 g/mol
LogP7.00
Rot. Bonds17

About decan-2-yloxy-hexoxy-diphenylsilane

decan-2-yloxy-hexoxy-diphenylsilane (PubChem CID 91740886) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is decan-2-yloxy-hexoxy-diphenylsilane.

Molecular Properties

Compound Namedecan-2-yloxy-hexoxy-diphenylsilane
PubChem CID91740886
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Namedecan-2-yloxy-hexoxy-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-4-6-8-10-11-14-20-26(3)30-31(27-21-15-12-16-22-27,28-23-17-13-18-24-28)29-25-19-9-7-5-2/h12-13,15-18,21-24,26H,4-11,14,19-20,25H2,1-3H3
InChIKeyNRXFNBGGTWXHTQ-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 57.00
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-hexoxy-diphenylsilane?
The IUPAC name of decan-2-yloxy-hexoxy-diphenylsilane (CID 91740886) is decan-2-yloxy-hexoxy-diphenylsilane.
What is the SMILES notation for decan-2-yloxy-hexoxy-diphenylsilane?
The canonical SMILES for decan-2-yloxy-hexoxy-diphenylsilane is CCCCCCCCC(C)O[Si](OCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of decan-2-yloxy-hexoxy-diphenylsilane?
The InChIKey is NRXFNBGGTWXHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-4-6-8-10-11-14-20-26(3)30-31(27-21-15-12-16-22-27,28-23-17-13-18-24-28)29-25-19-9-7-5-2/h12-13,15-18,21-24,26H,4-11,14,19-20,25H2,1-3H3.
What are the key properties of decan-2-yloxy-hexoxy-diphenylsilane?
decan-2-yloxy-hexoxy-diphenylsilane has a molecular weight of 440.74 g/mol, XLogP of 7.00, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yloxy-hexoxy-diphenylsilane is sourced from PubChem (CID 91740886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).