[1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane

C22H48B2O4Si2 — CID 101048146

IUPAC[1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane
SMILESCC1(C)OB(CC(C(CB2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C22H48B2O4Si2/c1-19(2)20(3,4)26-23(25-19)15-17(29(9,10)11)18(30(12,13)14)16-24-27-21(5,6)22(7,8)28-24/h17-18H,15-16H2,1-14H3
InChIKeyXDBZPNKGNMMBHL-UHFFFAOYSA-N
MW454.42 g/mol
LogP6.59
Rot. Bonds7

About [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane

[1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane (PubChem CID 101048146) has the molecular formula C22H48B2O4Si2 and a molecular weight of 454.42 g/mol. Its IUPAC name is [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane
PubChem CID101048146
Molecular FormulaC22H48B2O4Si2
Molecular Weight454.42 g/mol
Exact Mass454.33
IUPAC Name[1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane
SMILESCC1(C)OB(CC(C(CB2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C22H48B2O4Si2/c1-19(2)20(3,4)26-23(25-19)15-17(29(9,10)11)18(30(12,13)14)16-24-27-21(5,6)22(7,8)28-24/h17-18H,15-16H2,1-14H3
InChIKeyXDBZPNKGNMMBHL-UHFFFAOYSA-N
XLogP6.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.42
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane?
The IUPAC name of [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane (CID 101048146) is [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane.
What is the SMILES notation for [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane?
The canonical SMILES for [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane is CC1(C)OB(CC(C(CB2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)[Si](C)(C)C)OC1(C)C.
What is the InChIKey of [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane?
The InChIKey is XDBZPNKGNMMBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48B2O4Si2/c1-19(2)20(3,4)26-23(25-19)15-17(29(9,10)11)18(30(12,13)14)16-24-27-21(5,6)22(7,8)28-24/h17-18H,15-16H2,1-14H3.
What are the key properties of [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane?
[1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane has a molecular weight of 454.42 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane is sourced from PubChem (CID 101048146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).