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

C20H42B2O4Si2 — CID 123191710

IUPAC[1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane
SMILESCC1(C)OB(C(=C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C20H42B2O4Si2/c1-17(2)18(3,4)24-21(23-17)15(27(9,10)11)16(28(12,13)14)22-25-19(5,6)20(7,8)26-22/h1-14H3
InChIKeyNDWBKXUWXCGNFZ-UHFFFAOYSA-N
MW424.35 g/mol
LogP5.30
Rot. Bonds4

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

[1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane (PubChem CID 123191710) has the molecular formula C20H42B2O4Si2 and a molecular weight of 424.35 g/mol. Its IUPAC name is [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane.

Molecular Properties

Compound Name[1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane
PubChem CID123191710
Molecular FormulaC20H42B2O4Si2
Molecular Weight424.35 g/mol
Exact Mass424.28
IUPAC Name[1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane
SMILESCC1(C)OB(C(=C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C20H42B2O4Si2/c1-17(2)18(3,4)24-21(23-17)15(27(9,10)11)16(28(12,13)14)22-25-19(5,6)20(7,8)26-22/h1-14H3
InChIKeyNDWBKXUWXCGNFZ-UHFFFAOYSA-N
XLogP5.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.35
LogP ≤ 55.30
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 [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane?
The IUPAC name of [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane (CID 123191710) is [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane.
What is the SMILES notation for [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane?
The canonical SMILES for [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane is CC1(C)OB(C(=C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)[Si](C)(C)C)OC1(C)C.
What is the InChIKey of [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane?
The InChIKey is NDWBKXUWXCGNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42B2O4Si2/c1-17(2)18(3,4)24-21(23-17)15(27(9,10)11)16(28(12,13)14)22-25-19(5,6)20(7,8)26-22/h1-14H3.
What are the key properties of [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane?
[1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane has a molecular weight of 424.35 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane is sourced from PubChem (CID 123191710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).