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

C23H31BO3Si — CID 135063249

IUPACdimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane
SMILESCC1(C)OB(/C=C(/COc2ccccc2)[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=1S/C23H31BO3Si/c1-22(2)23(3,4)27-24(26-22)17-21(18-25-19-13-9-7-10-14-19)28(5,6)20-15-11-8-12-16-20/h7-17H,18H2,1-6H3/b21-17-
InChIKeyJTZPFDLIADWILP-FXBPSFAMSA-N
MW394.40 g/mol
LogP4.78
Rot. Bonds6

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

dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane (PubChem CID 135063249) has the molecular formula C23H31BO3Si and a molecular weight of 394.40 g/mol. Its IUPAC name is dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane.

Molecular Properties

Compound Namedimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane
PubChem CID135063249
Molecular FormulaC23H31BO3Si
Molecular Weight394.40 g/mol
Exact Mass394.21
IUPAC Namedimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane
SMILESCC1(C)OB(/C=C(/COc2ccccc2)[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=1S/C23H31BO3Si/c1-22(2)23(3,4)27-24(26-22)17-21(18-25-19-13-9-7-10-14-19)28(5,6)20-15-11-8-12-16-20/h7-17H,18H2,1-6H3/b21-17-
InChIKeyJTZPFDLIADWILP-FXBPSFAMSA-N
XLogP4.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
CID 134904347
4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 102483613
trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane
CID 166438777
1-phenoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 132529374
2-[(E)-2-(4-chlorophenyl)-2-phenylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101495067
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
[1-cyclopropylidene-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-dimethyl-phenylsilane
CID 11198651
[1-[(E)-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]cyclohexyl]oxy-diphenylsilane
CID 102283711
4,4,5,5-tetramethyl-2-[(E)-1-phenoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-1,3,2-dioxaborolane
CID 134903770
[3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-triphenylsilane
CID 139833210
[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-[[diphenyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silyl]oxy-diphenylsilyl]oxy-diphenylsilane
CID 100993384

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane?
The IUPAC name of dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane (CID 135063249) is dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane.
What is the SMILES notation for dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane?
The canonical SMILES for dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane is CC1(C)OB(/C=C(/COc2ccccc2)[Si](C)(C)c2ccccc2)OC1(C)C.
What is the InChIKey of dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane?
The InChIKey is JTZPFDLIADWILP-FXBPSFAMSA-N. The full InChI is InChI=1S/C23H31BO3Si/c1-22(2)23(3,4)27-24(26-22)17-21(18-25-19-13-9-7-10-14-19)28(5,6)20-15-11-8-12-16-20/h7-17H,18H2,1-6H3/b21-17-.
What are the key properties of dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane?
dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane has a molecular weight of 394.40 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane is sourced from PubChem (CID 135063249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).