dioctoxy(diphenyl)silane

C28H44O2Si — CID 18990706

IUPACdioctoxy(diphenyl)silane
SMILESCCCCCCCCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-3-5-7-9-11-19-25-29-31(27-21-15-13-16-22-27,28-23-17-14-18-24-28)30-26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3
InChIKeyBQOHGKXVHXIPTN-UHFFFAOYSA-N
MW440.74 g/mol
LogP7.00
Rot. Bonds18

About dioctoxy(diphenyl)silane

dioctoxy(diphenyl)silane (PubChem CID 18990706) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is dioctoxy(diphenyl)silane.

Molecular Properties

Compound Namedioctoxy(diphenyl)silane
PubChem CID18990706
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Namedioctoxy(diphenyl)silane
SMILESCCCCCCCCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H44O2Si/c1-3-5-7-9-11-19-25-29-31(27-21-15-13-16-22-27,28-23-17-14-18-24-28)30-26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3
InChIKeyBQOHGKXVHXIPTN-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
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 dioctoxy(diphenyl)silane?
The IUPAC name of dioctoxy(diphenyl)silane (CID 18990706) is dioctoxy(diphenyl)silane.
What is the SMILES notation for dioctoxy(diphenyl)silane?
The canonical SMILES for dioctoxy(diphenyl)silane is CCCCCCCCO[Si](OCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of dioctoxy(diphenyl)silane?
The InChIKey is BQOHGKXVHXIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-3-5-7-9-11-19-25-29-31(27-21-15-13-16-22-27,28-23-17-14-18-24-28)30-26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3.
What are the key properties of dioctoxy(diphenyl)silane?
dioctoxy(diphenyl)silane has a molecular weight of 440.74 g/mol, XLogP of 7.00, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioctoxy(diphenyl)silane is sourced from PubChem (CID 18990706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).