tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane

C27H36O2Si — CID 10598247

IUPACtert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane
SMILESCC/C=C/C/C=C\C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C27H36O2Si/c1-5-6-7-8-9-16-21-25(26-22-28-26)29-30(27(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h6-7,9-20,25-26H,5,8,21-22H2,1-4H3/b7-6+,16-9-/t25-,26-/m1/s1
InChIKeyFCWNRBCZJJVAPZ-FFVYWFHNSA-N
MW420.67 g/mol
LogP5.63
Rot. Bonds10

About tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane

tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane (PubChem CID 10598247) has the molecular formula C27H36O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane
PubChem CID10598247
Molecular FormulaC27H36O2Si
Molecular Weight420.67 g/mol
Exact Mass420.25
IUPAC Nametert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane
SMILESCC/C=C/C/C=C\C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C27H36O2Si/c1-5-6-7-8-9-16-21-25(26-22-28-26)29-30(27(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h6-7,9-20,25-26H,5,8,21-22H2,1-4H3/b7-6+,16-9-/t25-,26-/m1/s1
InChIKeyFCWNRBCZJJVAPZ-FFVYWFHNSA-N
XLogP5.63
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane (CID 10598247) is tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane is CC/C=C/C/C=C\C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane?
The InChIKey is FCWNRBCZJJVAPZ-FFVYWFHNSA-N. The full InChI is InChI=1S/C27H36O2Si/c1-5-6-7-8-9-16-21-25(26-22-28-26)29-30(27(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h6-7,9-20,25-26H,5,8,21-22H2,1-4H3/b7-6+,16-9-/t25-,26-/m1/s1.
What are the key properties of tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane?
tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane has a molecular weight of 420.67 g/mol, XLogP of 5.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,3Z,6E)-1-[(2R)-oxiran-2-yl]nona-3,6-dienoxy]-diphenylsilane is sourced from PubChem (CID 10598247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).