tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane

C30H44O3Si — CID 10972873

IUPACtert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane
SMILESCOC(C)(C)OCC/C(C)=C/C=C/[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44O3Si/c1-25(22-23-32-30(6,7)31-8)16-15-17-26(2)24-33-34(29(3,4)5,27-18-11-9-12-19-27)28-20-13-10-14-21-28/h9-21,26H,22-24H2,1-8H3/b17-15+,25-16+/t26-/m1/s1
InChIKeyYZOVKSZBOBOIKC-JDNCPWSXSA-N
MW480.77 g/mol
LogP6.49
Rot. Bonds12

About tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane

tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane (PubChem CID 10972873) has the molecular formula C30H44O3Si and a molecular weight of 480.77 g/mol. Its IUPAC name is tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane
PubChem CID10972873
Molecular FormulaC30H44O3Si
Molecular Weight480.77 g/mol
Exact Mass480.31
IUPAC Nametert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane
SMILESCOC(C)(C)OCC/C(C)=C/C=C/[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H44O3Si/c1-25(22-23-32-30(6,7)31-8)16-15-17-26(2)24-33-34(29(3,4)5,27-18-11-9-12-19-27)28-20-13-10-14-21-28/h9-21,26H,22-24H2,1-8H3/b17-15+,25-16+/t26-/m1/s1
InChIKeyYZOVKSZBOBOIKC-JDNCPWSXSA-N
XLogP6.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane (CID 10972873) is tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane is COC(C)(C)OCC/C(C)=C/C=C/[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane?
The InChIKey is YZOVKSZBOBOIKC-JDNCPWSXSA-N. The full InChI is InChI=1S/C30H44O3Si/c1-25(22-23-32-30(6,7)31-8)16-15-17-26(2)24-33-34(29(3,4)5,27-18-11-9-12-19-27)28-20-13-10-14-21-28/h9-21,26H,22-24H2,1-8H3/b17-15+,25-16+/t26-/m1/s1.
What are the key properties of tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane?
tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane has a molecular weight of 480.77 g/mol, XLogP of 6.49, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3E,5E)-8-(2-methoxypropan-2-yloxy)-2,6-dimethylocta-3,5-dienoxy]-diphenylsilane is sourced from PubChem (CID 10972873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).