tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane

C34H51O3PSi2 — CID 69236984

IUPACtert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C=C1/C/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C/C(=C\O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C34H51O3PSi2/c1-33(2,3)39(7,8)36-26-29-23-28(24-30(25-29)27-37-40(9,10)34(4,5)6)21-22-38(35,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-21,26-27H,22-25H2,1-10H3/b28-21-,29-26+,30-27-
InChIKeyZUIBHKWJEHDITC-MIEWFZRBSA-N
MW594.93 g/mol
LogP9.92
Rot. Bonds8

About tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane

tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane (PubChem CID 69236984) has the molecular formula C34H51O3PSi2 and a molecular weight of 594.93 g/mol. Its IUPAC name is tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane
PubChem CID69236984
Molecular FormulaC34H51O3PSi2
Molecular Weight594.93 g/mol
Exact Mass594.31
IUPAC Nametert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C=C1/C/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C/C(=C\O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C34H51O3PSi2/c1-33(2,3)39(7,8)36-26-29-23-28(24-30(25-29)27-37-40(9,10)34(4,5)6)21-22-38(35,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-21,26-27H,22-25H2,1-10H3/b28-21-,29-26+,30-27-
InChIKeyZUIBHKWJEHDITC-MIEWFZRBSA-N
XLogP9.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.93
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane (CID 69236984) is tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O/C=C1/C/C(=C\CP(=O)(c2ccccc2)c2ccccc2)C/C(=C\O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane?
The InChIKey is ZUIBHKWJEHDITC-MIEWFZRBSA-N. The full InChI is InChI=1S/C34H51O3PSi2/c1-33(2,3)39(7,8)36-26-29-23-28(24-30(25-29)27-37-40(9,10)34(4,5)6)21-22-38(35,31-17-13-11-14-18-31)32-19-15-12-16-20-32/h11-21,26-27H,22-25H2,1-10H3/b28-21-,29-26+,30-27-.
What are the key properties of tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane?
tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane has a molecular weight of 594.93 g/mol, XLogP of 9.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane is sourced from PubChem (CID 69236984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).