1,3,2-dioxaborinan-2-yloxy(triphenyl)silane

C21H21BO3Si — CID 102520367

IUPAC1,3,2-dioxaborinan-2-yloxy(triphenyl)silane
SMILESc1ccc([Si](OB2OCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21BO3Si/c1-4-11-19(12-5-1)26(20-13-6-2-7-14-20,21-15-8-3-9-16-21)25-22-23-17-10-18-24-22/h1-9,11-16H,10,17-18H2
InChIKeyPIPHHDDPRKNZSW-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.09
Rot. Bonds5

About 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane

1,3,2-dioxaborinan-2-yloxy(triphenyl)silane (PubChem CID 102520367) has the molecular formula C21H21BO3Si and a molecular weight of 360.29 g/mol. Its IUPAC name is 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane.

Molecular Properties

Compound Name1,3,2-dioxaborinan-2-yloxy(triphenyl)silane
PubChem CID102520367
Molecular FormulaC21H21BO3Si
Molecular Weight360.29 g/mol
Exact Mass360.14
IUPAC Name1,3,2-dioxaborinan-2-yloxy(triphenyl)silane
SMILESc1ccc([Si](OB2OCCCO2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H21BO3Si/c1-4-11-19(12-5-1)26(20-13-6-2-7-14-20,21-15-8-3-9-16-21)25-22-23-17-10-18-24-22/h1-9,11-16H,10,17-18H2
InChIKeyPIPHHDDPRKNZSW-UHFFFAOYSA-N
XLogP2.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,2-dioxaborinan-2-yloxy-dimethyl-phenylsilane
CID 102520366
triphenyl(silyloxy)silane
CID 123924949
triphenylsilyloxyaluminum(2+) dichloride
CID 173433919
[2,3,4,5,6-pentakis(triphenylsilyloxy)cyclohexyl]oxy-triphenylsilane
CID 102382950
1,3,2-dioxaborolan-2-yl(triphenyl)silane
CID 101421948
triphenyl-(4-triphenylsilyloxyphenoxy)silane
CID 86209033
triphenyl-(2-triphenylsilyloxyphenoxy)silane
CID 154164167
hexaphenyltrisiloxane
CID 87857369
2-[dimethyl(triphenylsilyloxy)silyl]ethyl-dimethyl-triphenylsilyloxysilane
CID 140828433
[diphenyl(triphenylsilyloxy)silyl]oxy-[[[[[[diphenyl(triphenylsilyloxy)silyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 139707283
diphenyl-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silane
CID 11048939
2-(3-phenoxyphenyl)-1,3,2-dioxaborinane
CID 18541713

Frequently Asked Questions

What is the IUPAC name of 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane?
The IUPAC name of 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane (CID 102520367) is 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane.
What is the SMILES notation for 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane?
The canonical SMILES for 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane is c1ccc([Si](OB2OCCCO2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane?
The InChIKey is PIPHHDDPRKNZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BO3Si/c1-4-11-19(12-5-1)26(20-13-6-2-7-14-20,21-15-8-3-9-16-21)25-22-23-17-10-18-24-22/h1-9,11-16H,10,17-18H2.
What are the key properties of 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane?
1,3,2-dioxaborinan-2-yloxy(triphenyl)silane has a molecular weight of 360.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxaborinan-2-yloxy(triphenyl)silane is sourced from PubChem (CID 102520367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).