[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane

C22H42B2O4Si2 — CID 135049162

IUPAC[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
SMILESCC1(C)OB(/C(C#C[Si](C)(C)C)=C(\B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C22H42B2O4Si2/c1-19(2)20(3,4)26-23(25-19)17(15-16-29(9,10)11)18(30(12,13)14)24-27-21(5,6)22(7,8)28-24/h1-14H3/b18-17+
InChIKeyKPLAHCPAPLLPSL-ISLYRVAYSA-N
MW448.37 g/mol
LogP5.30
Rot. Bonds3

About [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane

[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane (PubChem CID 135049162) has the molecular formula C22H42B2O4Si2 and a molecular weight of 448.37 g/mol. Its IUPAC name is [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
PubChem CID135049162
Molecular FormulaC22H42B2O4Si2
Molecular Weight448.37 g/mol
Exact Mass448.28
IUPAC Name[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
SMILESCC1(C)OB(/C(C#C[Si](C)(C)C)=C(\B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C22H42B2O4Si2/c1-19(2)20(3,4)26-23(25-19)17(15-16-29(9,10)11)18(30(12,13)14)24-27-21(5,6)22(7,8)28-24/h1-14H3/b18-17+
InChIKeyKPLAHCPAPLLPSL-ISLYRVAYSA-N
XLogP5.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-trimethylsilane
CID 101913732
[(Z)-2,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-trimethylsilane
CID 54762385
2,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl-trimethylsilane
CID 101792408
[Dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silyl]oxy-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
CID 154712243
[1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-trimethylsilylethenyl]-trimethylsilane
CID 123191710
[1,4-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-trimethylsilylbutan-2-yl]-trimethylsilane
CID 101048146
Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane
CID 102497336
Trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
CID 132917900

Frequently Asked Questions

What is the IUPAC name of [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The IUPAC name of [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane (CID 135049162) is [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane.
What is the SMILES notation for [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The canonical SMILES for [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane is CC1(C)OB(/C(C#C[Si](C)(C)C)=C(\B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C.
What is the InChIKey of [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
The InChIKey is KPLAHCPAPLLPSL-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H42B2O4Si2/c1-19(2)20(3,4)26-23(25-19)17(15-16-29(9,10)11)18(30(12,13)14)24-27-21(5,6)22(7,8)28-24/h1-14H3/b18-17+.
What are the key properties of [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane?
[(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane has a molecular weight of 448.37 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane is sourced from PubChem (CID 135049162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).