[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane

C29H35BO2Si — CID 139833210

IUPAC[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
SMILESCC(C)=C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C29H35BO2Si/c1-23(2)27(30-31-28(3,4)29(5,6)32-30)22-33(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21H,22H2,1-6H3
InChIKeyZLLFTYBLWULWGL-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.12
Rot. Bonds6

About [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane

[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane (PubChem CID 139833210) has the molecular formula C29H35BO2Si and a molecular weight of 454.50 g/mol. Its IUPAC name is [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane.

Molecular Properties

Compound Name[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
PubChem CID139833210
Molecular FormulaC29H35BO2Si
Molecular Weight454.50 g/mol
Exact Mass454.25
IUPAC Name[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
SMILESCC(C)=C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C29H35BO2Si/c1-23(2)27(30-31-28(3,4)29(5,6)32-30)22-33(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21H,22H2,1-6H3
InChIKeyZLLFTYBLWULWGL-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
CID 100945364
4,4,5,5-tetramethyl-2-[4-phenyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-1,3,2-dioxaborolane
CID 132917896
4,4,5,5-tetramethyl-2-[(E)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
CID 11196194
4,4,5,5-tetramethyl-2-[(3Z)-5-methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-3,5-dien-3-yl]-1,3,2-dioxaborolane
CID 122398650
dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane
CID 135049091
2-[(E)-1,3-diphenylpent-2-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 46220785
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171832535
tritert-butyl-[(E)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl]stannane
CID 71714704
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
trimethyl-[(Z)-3-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
CID 102226563
diphenyl-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silane
CID 11048939
[1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane
CID 11198651

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane?
The IUPAC name of [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane (CID 139833210) is [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane.
What is the SMILES notation for [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane?
The canonical SMILES for [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane is CC(C)=C(C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane?
The InChIKey is ZLLFTYBLWULWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35BO2Si/c1-23(2)27(30-31-28(3,4)29(5,6)32-30)22-33(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21H,22H2,1-6H3.
What are the key properties of [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane?
[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane has a molecular weight of 454.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane is sourced from PubChem (CID 139833210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).