[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane

C21H35BO2Si — CID 100945364

IUPAC[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
SMILESCC(C)=C(B1OC(C)(C)C(C)(C)O1)C(C)(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H35BO2Si/c1-16(2)18(22-23-20(5,6)21(7,8)24-22)19(3,4)25(9,10)17-14-12-11-13-15-17/h11-15H,1-10H3
InChIKeyHADKIAGFACKQAB-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.35
Rot. Bonds4

About [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane

[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane (PubChem CID 100945364) has the molecular formula C21H35BO2Si and a molecular weight of 358.41 g/mol. Its IUPAC name is [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
PubChem CID100945364
Molecular FormulaC21H35BO2Si
Molecular Weight358.41 g/mol
Exact Mass358.25
IUPAC Name[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
SMILESCC(C)=C(B1OC(C)(C)C(C)(C)O1)C(C)(C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H35BO2Si/c1-16(2)18(22-23-20(5,6)21(7,8)24-22)19(3,4)25(9,10)17-14-12-11-13-15-17/h11-15H,1-10H3
InChIKeyHADKIAGFACKQAB-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
CID 139833210
dimethyl-phenyl-[(1Z,3E)-1,2,3,4-tetraphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)buta-1,3-dienyl]silane
CID 135061365
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-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
[(3S)-3-[dimethyl(phenyl)silyl]-2,2-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enyl] acetate
CID 135850446
diphenyl-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silane
CID 11048939
[2-cyclohexylidene-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-phenylsilane
CID 11485466
dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-3-yl]silane
CID 135049091
tert-butyl-[(2R)-2-[dimethyl(phenyl)silyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoxy]-dimethylsilane
CID 135060739
dimethyl-phenyl-[3-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]cyclohexyl]silane
CID 134904089
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

Frequently Asked Questions

What is the IUPAC name of [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane (CID 100945364) is [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane is CC(C)=C(B1OC(C)(C)C(C)(C)O1)C(C)(C)[Si](C)(C)c1ccccc1.
What is the InChIKey of [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane?
The InChIKey is HADKIAGFACKQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35BO2Si/c1-16(2)18(22-23-20(5,6)21(7,8)24-22)19(3,4)25(9,10)17-14-12-11-13-15-17/h11-15H,1-10H3.
What are the key properties of [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane?
[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane has a molecular weight of 358.41 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 100945364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).