butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane

C32H38O3Si2 — CID 68750279

IUPACbutoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
SMILESCCCCO[Si](O[Si](OCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38O3Si2/c1-3-5-27-33-36(29-19-11-7-12-20-29,30-21-13-8-14-22-30)35-37(34-28-6-4-2,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26H,3-6,27-28H2,1-2H3
InChIKeyDAVPQZKBXNMWJW-UHFFFAOYSA-N
MW526.83 g/mol
LogP5.15
Rot. Bonds14

About butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane

butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane (PubChem CID 68750279) has the molecular formula C32H38O3Si2 and a molecular weight of 526.83 g/mol. Its IUPAC name is butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane.

Molecular Properties

Compound Namebutoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
PubChem CID68750279
Molecular FormulaC32H38O3Si2
Molecular Weight526.83 g/mol
Exact Mass526.24
IUPAC Namebutoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
SMILESCCCCO[Si](O[Si](OCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38O3Si2/c1-3-5-27-33-36(29-19-11-7-12-20-29,30-21-13-8-14-22-30)35-37(34-28-6-4-2,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26H,3-6,27-28H2,1-2H3
InChIKeyDAVPQZKBXNMWJW-UHFFFAOYSA-N
XLogP5.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.83
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butoxy-(2-fluoroethoxy)-diphenylsilane
CID 91717515
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
butoxy-(4-methylcyclohexyl)oxy-diphenylsilane
CID 91741215
sodium dibutoxy-oxido-phenylsilane
CID 101018788
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
methoxy-diphenyl-propoxysilane
CID 22955915
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
bis[(E)-non-3-enoxy]-diphenylsilane
CID 91732770

Frequently Asked Questions

What is the IUPAC name of butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane?
The IUPAC name of butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane (CID 68750279) is butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane.
What is the SMILES notation for butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane?
The canonical SMILES for butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane is CCCCO[Si](O[Si](OCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane?
The InChIKey is DAVPQZKBXNMWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O3Si2/c1-3-5-27-33-36(29-19-11-7-12-20-29,30-21-13-8-14-22-30)35-37(34-28-6-4-2,31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-26H,3-6,27-28H2,1-2H3.
What are the key properties of butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane?
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane has a molecular weight of 526.83 g/mol, XLogP of 5.15, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane is sourced from PubChem (CID 68750279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).