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

C20H31BO2Si — CID 11198651

IUPAC[1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane
SMILESCC1(C)OB(CCC(=C2CC2)[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=1S/C20H31BO2Si/c1-19(2)20(3,4)23-21(22-19)15-14-18(16-12-13-16)24(5,6)17-10-8-7-9-11-17/h7-11H,12-15H2,1-6H3
InChIKeyIDDCYPDEIOLVJJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.71
Rot. Bonds5

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

[1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane (PubChem CID 11198651) has the molecular formula C20H31BO2Si and a molecular weight of 342.36 g/mol. Its IUPAC name is [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane
PubChem CID11198651
Molecular FormulaC20H31BO2Si
Molecular Weight342.36 g/mol
Exact Mass342.22
IUPAC Name[1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane
SMILESCC1(C)OB(CCC(=C2CC2)[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=1S/C20H31BO2Si/c1-19(2)20(3,4)23-21(22-19)15-14-18(16-12-13-16)24(5,6)17-10-8-7-9-11-17/h7-11H,12-15H2,1-6H3
InChIKeyIDDCYPDEIOLVJJ-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.71
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

[2-cyclohexylidene-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-dimethyl-phenylsilane
CID 11485466
dimethyl-[(E)-2-methyl-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-2-enyl]-phenylsilane
CID 11259077
[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
CID 139833210
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-thiophen-2-ylpropan-1-one
CID 132558418
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane
CID 135063249
1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 132529374
[2,4-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-3-en-2-yl]-dimethyl-phenylsilane
CID 100945364
1-[dimethyl(phenyl)silyl]-3-trimethylsilylpropan-1-one
CID 101379873
diphenyl-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silane
CID 11048939
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
2-[2-(3-bromophenyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122371474

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane?
The IUPAC name of [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane (CID 11198651) is [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane.
What is the SMILES notation for [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane?
The canonical SMILES for [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane is CC1(C)OB(CCC(=C2CC2)[Si](C)(C)c2ccccc2)OC1(C)C.
What is the InChIKey of [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane?
The InChIKey is IDDCYPDEIOLVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31BO2Si/c1-19(2)20(3,4)23-21(22-19)15-14-18(16-12-13-16)24(5,6)17-10-8-7-9-11-17/h7-11H,12-15H2,1-6H3.
What are the key properties of [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane?
[1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane has a molecular weight of 342.36 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane is sourced from PubChem (CID 11198651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).