trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane

C21H33BO3Si — CID 166438777

IUPACtrimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane
SMILESCC(=C\CO[Si](C)(C)C)/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C21H33BO3Si/c1-17(14-15-23-26(6,7)8)19(18-12-10-9-11-13-18)16-22-24-20(2,3)21(4,5)25-22/h9-14,16H,15H2,1-8H3/b17-14+,19-16+
InChIKeyPNBACGDOMZUGMB-LDWJSGITSA-N
MW372.39 g/mol
LogP5.50
Rot. Bonds6

About trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane

trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane (PubChem CID 166438777) has the molecular formula C21H33BO3Si and a molecular weight of 372.39 g/mol. Its IUPAC name is trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane
PubChem CID166438777
Molecular FormulaC21H33BO3Si
Molecular Weight372.39 g/mol
Exact Mass372.23
IUPAC Nametrimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane
SMILESCC(=C\CO[Si](C)(C)C)/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C21H33BO3Si/c1-17(14-15-23-26(6,7)8)19(18-12-10-9-11-13-18)16-22-24-20(2,3)21(4,5)25-22/h9-14,16H,15H2,1-8H3/b17-14+,19-16+
InChIKeyPNBACGDOMZUGMB-LDWJSGITSA-N
XLogP5.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(E)-1-[methyl(diphenyl)silyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
CID 134904347
dimethyl-[(Z)-3-phenoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-phenylsilane
CID 135063249
trimethyl-[(E)-2-phenyl-3-trimethylsilyloxyprop-1-enyl]silane
CID 102054796
4,4,5,5-tetramethyl-2-[(Z)-1-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 15748693
2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130951837
[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)-3-phenylbut-2-en-2-yl]-1,3,2-dioxaborolane
CID 11196194
4,4,5,5-tetramethyl-2-[(1E,3E,5E)-5-methyl-6-phenylhexa-1,3,5-trienyl]-1,3,2-dioxaborolane
CID 177432813
4,4,5,5-tetramethyl-2-[(1E,3S)-3-(2-methylphenyl)-2-phenylpenta-1,4-dienyl]-1,3,2-dioxaborolane
CID 154716657
(3E,5Z)-4-methyl-5,6-diphenylhexa-3,5-dien-1-ol
CID 101399706

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane?
The IUPAC name of 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) is trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane.
What is the SMILES notation for trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane?
The canonical SMILES for trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane is CC(=C\CO[Si](C)(C)C)/C(=C\B1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane?
The InChIKey is PNBACGDOMZUGMB-LDWJSGITSA-N. The full InChI is InChI=1S/C21H33BO3Si/c1-17(14-15-23-26(6,7)8)19(18-12-10-9-11-13-18)16-22-24-20(2,3)21(4,5)25-22/h9-14,16H,15H2,1-8H3/b17-14+,19-16+.
What are the key properties of trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane?
trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane has a molecular weight of 372.39 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2E,4E)-3-methyl-4-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dienoxy]silane is sourced from PubChem (CID 166438777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).