trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane

C23H47BO2Si4 — CID 122230895

IUPACtrimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane
SMILESCC1CC(C)(C)OB(C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c2ccccc2)O1
InChIInChI=1S/C23H47BO2Si4/c1-20-18-23(2,3)26-24(25-20)22(21-16-14-13-15-17-21)19-30(27(4,5)6,28(7,8)9)29(10,11)12/h13-17,20,22H,18-19H2,1-12H3
InChIKeyUECCZAOROIZORW-UHFFFAOYSA-N
MW478.78 g/mol
LogP7.10
Rot. Bonds7

About trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane

trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane (PubChem CID 122230895) has the molecular formula C23H47BO2Si4 and a molecular weight of 478.78 g/mol. Its IUPAC name is trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane.

Molecular Properties

Compound Nametrimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane
PubChem CID122230895
Molecular FormulaC23H47BO2Si4
Molecular Weight478.78 g/mol
Exact Mass478.27
IUPAC Nametrimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane
SMILESCC1CC(C)(C)OB(C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c2ccccc2)O1
InChIInChI=1S/C23H47BO2Si4/c1-20-18-23(2,3)26-24(25-20)22(21-16-14-13-15-17-21)19-30(27(4,5)6,28(7,8)9)29(10,11)12/h13-17,20,22H,18-19H2,1-12H3
InChIKeyUECCZAOROIZORW-UHFFFAOYSA-N
XLogP7.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.78
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane?
The IUPAC name of trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane (CID 122230895) is trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane.
What is the SMILES notation for trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane?
The canonical SMILES for trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane is CC1CC(C)(C)OB(C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)c2ccccc2)O1.
What is the InChIKey of trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane?
The InChIKey is UECCZAOROIZORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47BO2Si4/c1-20-18-23(2,3)26-24(25-20)22(21-16-14-13-15-17-21)19-30(27(4,5)6,28(7,8)9)29(10,11)12/h13-17,20,22H,18-19H2,1-12H3.
What are the key properties of trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane?
trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane has a molecular weight of 478.78 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-phenyl-2-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)ethyl]-bis(trimethylsilyl)silyl]silane is sourced from PubChem (CID 122230895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).