2-ethylhexyl(triphenoxy)silane

C26H32O3Si — CID 69199593

IUPAC2-ethylhexyl(triphenoxy)silane
SMILESCCCCC(CC)C[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H32O3Si/c1-3-5-15-23(4-2)22-30(27-24-16-9-6-10-17-24,28-25-18-11-7-12-19-25)29-26-20-13-8-14-21-26/h6-14,16-21,23H,3-5,15,22H2,1-2H3
InChIKeyXJZNNIWNIMZAGY-UHFFFAOYSA-N
MW420.62 g/mol
LogP7.38
Rot. Bonds12

About 2-ethylhexyl(triphenoxy)silane

2-ethylhexyl(triphenoxy)silane (PubChem CID 69199593) has the molecular formula C26H32O3Si and a molecular weight of 420.62 g/mol. Its IUPAC name is 2-ethylhexyl(triphenoxy)silane.

Molecular Properties

Compound Name2-ethylhexyl(triphenoxy)silane
PubChem CID69199593
Molecular FormulaC26H32O3Si
Molecular Weight420.62 g/mol
Exact Mass420.21
IUPAC Name2-ethylhexyl(triphenoxy)silane
SMILESCCCCC(CC)C[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H32O3Si/c1-3-5-15-23(4-2)22-30(27-24-16-9-6-10-17-24,28-25-18-11-7-12-19-25)29-26-20-13-8-14-21-26/h6-14,16-21,23H,3-5,15,22H2,1-2H3
InChIKeyXJZNNIWNIMZAGY-UHFFFAOYSA-N
XLogP7.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.62
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl(triphenoxy)silane?
The IUPAC name of 2-ethylhexyl(triphenoxy)silane (CID 69199593) is 2-ethylhexyl(triphenoxy)silane.
What is the SMILES notation for 2-ethylhexyl(triphenoxy)silane?
The canonical SMILES for 2-ethylhexyl(triphenoxy)silane is CCCCC(CC)C[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-ethylhexyl(triphenoxy)silane?
The InChIKey is XJZNNIWNIMZAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O3Si/c1-3-5-15-23(4-2)22-30(27-24-16-9-6-10-17-24,28-25-18-11-7-12-19-25)29-26-20-13-8-14-21-26/h6-14,16-21,23H,3-5,15,22H2,1-2H3.
What are the key properties of 2-ethylhexyl(triphenoxy)silane?
2-ethylhexyl(triphenoxy)silane has a molecular weight of 420.62 g/mol, XLogP of 7.38, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl(triphenoxy)silane is sourced from PubChem (CID 69199593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).