trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane

C24H35BO2Si2 — CID 134904347

IUPACtrimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
SMILESCC1(C)OB(/C=C(\[Si](C)(C)C)[Si](C)(c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C24H35BO2Si2/c1-23(2)24(3,4)27-25(26-23)19-22(28(5,6)7)29(8,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-19H,1-8H3/b22-19+
InChIKeySJCOMBLQTCCRSR-ZBJSNUHESA-N
MW422.53 g/mol
LogP4.85
Rot. Bonds5

About trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane

trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane (PubChem CID 134904347) has the molecular formula C24H35BO2Si2 and a molecular weight of 422.53 g/mol. Its IUPAC name is trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
PubChem CID134904347
Molecular FormulaC24H35BO2Si2
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Nametrimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
SMILESCC1(C)OB(/C=C(\[Si](C)(C)C)[Si](C)(c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C24H35BO2Si2/c1-23(2)24(3,4)27-25(26-23)19-22(28(5,6)7)29(8,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-19H,1-8H3/b22-19+
InChIKeySJCOMBLQTCCRSR-ZBJSNUHESA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.85
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

dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane
CID 135063249
4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 102483613
2-[(E)-2-(4-chlorophenyl)-2-phenylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101495067
trimethyl-[(1E,3E,5E)-1-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-1,3,5-trien-2-yl]silane
CID 150068871
diphenyl-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]silane
CID 11048939
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
4,4,5,5-tetramethyl-2-[(1E,3S)-3-(2-methylphenyl)-2-phenylpenta-1,4-dienyl]-1,3,2-dioxaborolane
CID 154716657
4,4,5,5-tetramethyl-2-[(1E,3E,5E)-5-methyl-6-phenylhexa-1,3,5-trienyl]-1,3,2-dioxaborolane
CID 177432813
methyl-diphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane
CID 171832535
2-[2,2-bis(4-methylphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101360250
4,4,5,5-tetramethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-1,3,2-dioxaborolane
CID 100969380
N-phenyl-N-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]aniline
CID 102044613

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
The IUPAC name of trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane (CID 134904347) is trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane.
What is the SMILES notation for trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
The canonical SMILES for trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane is CC1(C)OB(/C=C(\[Si](C)(C)C)[Si](C)(c2ccccc2)c2ccccc2)OC1(C)C.
What is the InChIKey of trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
The InChIKey is SJCOMBLQTCCRSR-ZBJSNUHESA-N. The full InChI is InChI=1S/C24H35BO2Si2/c1-23(2)24(3,4)27-25(26-23)19-22(28(5,6)7)29(8,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-19H,1-8H3/b22-19+.
What are the key properties of trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane has a molecular weight of 422.53 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane is sourced from PubChem (CID 134904347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).