tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane

C24H50O3Si2 — CID 10527207

About tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane

tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane (PubChem CID 10527207) has the molecular formula C24H50O3Si2 and a molecular weight of 442.83 g/mol. Its IUPAC name is tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane
• PubChem CID: 10527207
• Molecular Formula: C24H50O3Si2
• Molecular Weight: 442.83 g/mol
• Exact Mass: 442.33
• IUPAC Name: tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane
• SMILES: C=C(/C=C(\C)[C@H](CC)OCOCC[Si](C)(C)C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H50O3Si2/c1-13-23(26-19-25-14-15-28(8,9)10)22(4)17-20(2)16-21(3)18-27-29(11,12)24(5,6)7/h17,21,23H,2,13-16,18-19H2,1,3-12H3/b22-17+/t21-,23+/m1/s1
• InChIKey: QZYUYGQWUOMYMA-JSVKHPCNSA-N
• XLogP: 7.64
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.83
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane (CID 10527207) is tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane is C=C(/C=C(\C)[C@H](CC)OCOCC[Si](C)(C)C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane?

The InChIKey is QZYUYGQWUOMYMA-JSVKHPCNSA-N. The full InChI is InChI=1S/C24H50O3Si2/c1-13-23(26-19-25-14-15-28(8,9)10)22(4)17-20(2)16-21(3)18-27-29(11,12)24(5,6)7/h17,21,23H,2,13-16,18-19H2,1,3-12H3/b22-17+/t21-,23+/m1/s1.

What are the key properties of tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane?

tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane has a molecular weight of 442.83 g/mol, XLogP of 7.64, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E,2R,7S)-2,6-dimethyl-4-methylidene-7-(2-trimethylsilylethoxymethoxy)non-5-enoxy]-dimethylsilane is sourced from PubChem (CID 10527207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).