tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane

C26H52O4Si — CID 11144927

About tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane (PubChem CID 11144927) has the molecular formula C26H52O4Si and a molecular weight of 456.78 g/mol. Its IUPAC name is tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane
• PubChem CID: 11144927
• Molecular Formula: C26H52O4Si
• Molecular Weight: 456.78 g/mol
• Exact Mass: 456.36
• IUPAC Name: tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane
• SMILES: C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](C[C@H]1OC(C)(C)OC[C@H]1CC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H52O4Si/c1-13-15-16-19(3)24(27-10)20(4)22(30-31(11,12)25(5,6)7)17-23-21(14-2)18-28-26(8,9)29-23/h13,15,19-24H,14,16-18H2,1-12H3/b15-13+/t19-,20-,21+,22+,23+,24+/m0/s1
• InChIKey: USECSZQQWPTIGQ-SSWGLEMQSA-N
• XLogP: 7.20
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.78
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane (CID 11144927) is tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane is C/C=C/C[C@H](C)[C@@H](OC)[C@@H](C)[C@@H](C[C@H]1OC(C)(C)OC[C@H]1CC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane?

The InChIKey is USECSZQQWPTIGQ-SSWGLEMQSA-N. The full InChI is InChI=1S/C26H52O4Si/c1-13-15-16-19(3)24(27-10)20(4)22(30-31(11,12)25(5,6)7)17-23-21(14-2)18-28-26(8,9)29-23/h13,15,19-24H,14,16-18H2,1-12H3/b15-13+/t19-,20-,21+,22+,23+,24+/m0/s1.

What are the key properties of tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane?

tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane has a molecular weight of 456.78 g/mol, XLogP of 7.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(E,2R,3R,4R,5S)-1-[(4R,5R)-5-ethyl-2,2-dimethyl-1,3-dioxan-4-yl]-4-methoxy-3,5-dimethylnon-7-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11144927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).