dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane

C20H30O3Si2 — CID 18913388

IUPACdibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane
SMILESCCCC[Si](CCCC)(O[Si](O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H30O3Si2/c1-3-5-17-24(18-6-4-2,19-13-9-7-10-14-19)23-25(21,22)20-15-11-8-12-16-20/h7-16,21-22H,3-6,17-18H2,1-2H3
InChIKeyBREDMAHNSPXDKX-UHFFFAOYSA-N
MW374.63 g/mol
LogP3.29
Rot. Bonds10

About dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane

dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane (PubChem CID 18913388) has the molecular formula C20H30O3Si2 and a molecular weight of 374.63 g/mol. Its IUPAC name is dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane.

Molecular Properties

Compound Namedibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane
PubChem CID18913388
Molecular FormulaC20H30O3Si2
Molecular Weight374.63 g/mol
Exact Mass374.17
IUPAC Namedibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane
SMILESCCCC[Si](CCCC)(O[Si](O)(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H30O3Si2/c1-3-5-17-24(18-6-4-2,19-13-9-7-10-14-19)23-25(21,22)20-15-11-8-12-16-20/h7-16,21-22H,3-6,17-18H2,1-2H3
InChIKeyBREDMAHNSPXDKX-UHFFFAOYSA-N
XLogP3.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl-dihydroxy-phenylsilane
CID 23312649
[dihydroxy(phenyl)silyl]oxy-dihydroxy-phenylsilane
CID 11335392
butyl-dimethoxy-phenylsilane
CID 66773516
butyl-[dimethyl(phenyl)silyl]oxy-dimethylsilane
CID 167313973
[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
CID 66773624
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
butyl-methoxy-[methyl(diphenyl)silyl]-phenylsilane
CID 90686428
butyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
CID 66773716
butyl-chloro-phenyl-propoxysilane
CID 140744872
butyl(trichloro)silane;dichloro(diphenyl)silane
CID 67532832
heptadecyl(triphenyl)silane
CID 4520075
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876

Frequently Asked Questions

What is the IUPAC name of dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane?
The IUPAC name of dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane (CID 18913388) is dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane.
What is the SMILES notation for dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane?
The canonical SMILES for dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane is CCCC[Si](CCCC)(O[Si](O)(O)c1ccccc1)c1ccccc1.
What is the InChIKey of dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane?
The InChIKey is BREDMAHNSPXDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3Si2/c1-3-5-17-24(18-6-4-2,19-13-9-7-10-14-19)23-25(21,22)20-15-11-8-12-16-20/h7-16,21-22H,3-6,17-18H2,1-2H3.
What are the key properties of dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane?
dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane has a molecular weight of 374.63 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[dihydroxy(phenyl)silyl]oxy-phenylsilane is sourced from PubChem (CID 18913388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).